English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry PCM/PTM Related PDB entries

A1ERF

Summary

Name:	~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-[(6-chloranyl-1~{H}-indol-3-yl)methyl]ethanamide
Formula:	C15 H16 Cl2 N2 O3 S
Formal charge:	0
Formula weight:	375.27 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]-2-chloranyl-~{N}-[(6-chloranyl-1~{H}-indol-3-yl)methyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C15H16Cl2N2O3S/c16-6-15(20)19(12-3-4-23(21,22)9-12)8-10-7-18-14-5-11(17)1-2-13(10)14/h1-2,5,7,12,18H,3-4,6,8-9H2/t12-/m1/s1
InChIKey	InChI	1.06	FOHCDTMEJMBMPB-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	ClCC(=O)N(Cc1c[nH]c2cc(Cl)ccc12)[C@@H]3CC[S](=O)(=O)C3
SMILES	CACTVS	3.385	ClCC(=O)N(Cc1c[nH]c2cc(Cl)ccc12)[CH]3CC[S](=O)(=O)C3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)[nH]cc2CN([C@@H]3CCS(=O)(=O)C3)C(=O)CCl
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)[nH]cc2CN(C3CCS(=O)(=O)C3)C(=O)CCl

254917

PDB entries from 2026-06-10

PDB statistics

PDBj update info

Contact PDBj

numon