English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1EYA

Summary

Name:	~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-~{N}-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]ethanamide
Formula:	C17 H18 F N O3 S2
Formal charge:	0
Formula weight:	367.458 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-~{N}-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C17H18FNO3S2/c1-12(20)19(15-8-9-24(21,22)11-15)10-16-6-7-17(23-16)13-2-4-14(18)5-3-13/h2-7,15H,8-11H2,1H3/t15-/m1/s1
InChIKey	InChI	1.06	MCNPPBILKGLLIM-OAHLLOKOSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)N(Cc1sc(cc1)c2ccc(F)cc2)[C@@H]3CC[S](=O)(=O)C3
SMILES	CACTVS	3.385	CC(=O)N(Cc1sc(cc1)c2ccc(F)cc2)[CH]3CC[S](=O)(=O)C3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)N(Cc1ccc(s1)c2ccc(cc2)F)[C@@H]3CCS(=O)(=O)C3
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N(Cc1ccc(s1)c2ccc(cc2)F)C3CCS(=O)(=O)C3

259693

PDB entries from 2026-09-16

PDB statistics

PDBj update info

Contact PDBj

numon