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A1CQF

Summary
Name:1-{[(2S)-6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}azetidine-3-carboxamide
Formula:C14 H14 Cl N3 O3 S
Formal charge:0
Formula weight:339.797 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.521-{[(2S)-6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}azetidine-3-carboxamide
OpenEye OEToolkits3.1.0.01-[2-[(2~{S})-6-chloranyl-3-oxidanylidene-4~{H}-1,4-benzothiazin-2-yl]ethanoyl]azetidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CN(C1)C(=O)CC1Sc2ccc(Cl)cc2NC1=O
InChIInChI1.06InChI=1S/C14H14ClN3O3S/c15-8-1-2-10-9(3-8)17-14(21)11(22-10)4-12(19)18-5-7(6-18)13(16)20/h1-3,7,11H,4-6H2,(H2,16,20)(H,17,21)/t11-/m0/s1
InChIKeyInChI1.06JBLYMBMRLOVXNQ-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385NC(=O)C1CN(C1)C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O
SMILESCACTVS3.385NC(=O)C1CN(C1)C(=O)C[CH]2Sc3ccc(Cl)cc3NC2=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2c(cc1Cl)NC(=O)[C@@H](S2)CC(=O)N3CC(C3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(cc1Cl)NC(=O)C(S2)CC(=O)N3CC(C3)C(=O)N

253795

PDB entries from 2026-05-20

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