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Summary Geometry Related PDB entries

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Summary

Name:	N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
Formula:	C16 H16 N2 O3 S2
Formal charge:	0
Formula weight:	348.44 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[(~{Z})-1-(5-morpholin-4-ylthiophen-2-yl)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C\C(NC(=O)c1cccs1)=C\c1ccc(s1)N1CCOCC1
InChI	InChI	1.06	InChI=1S/C16H16N2O3S2/c19-11-12(17-16(20)14-2-1-9-22-14)10-13-3-4-15(23-13)18-5-7-21-8-6-18/h1-4,9-11H,5-8H2,(H,17,20)/b12-10-
InChIKey	InChI	1.06	KZHJLIYVOMIHCX-BENRWUELSA-N
SMILES_CANONICAL	CACTVS	3.385	O=CC(/NC(=O)c1sccc1)=C/c2sc(cc2)N3CCOCC3
SMILES	CACTVS	3.385	O=CC(NC(=O)c1sccc1)=Cc2sc(cc2)N3CCOCC3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(sc1)C(=O)N/C(=C\c2ccc(s2)N3CCOCC3)/C=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(sc1)C(=O)NC(=Cc2ccc(s2)N3CCOCC3)C=O

222036

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