[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(3-thienyl)thiazole-4-carboxylate CAS Name: 2-(3-thiophenyl)-4-thiazolecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-thienyl)thiazole-4-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C19H18N2O3S3 MolecularWeight: 418.55282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CSC(=N2)C3=CSC=C3

InChI

InChI=1S/C19H18N2O3S3/c22-17(20-8-4-9-26-15-5-2-1-3-6-15)11-24-19(23)16-13-27-18(21-16)14-7-10-25-12-14/h1-3,5-7,10,12-13H,4,8-9,11H2,(H,20,22)