[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)NCCCSC2=CC=CC=C2)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)NCCCSC2=CC=CC=C2)NC(=O)C)C

InChI

InChI=1S/C20H24N2O4S2/c1-13-14(2)28-19(22-15(3)23)18(13)20(25)26-12-17(24)21-10-7-11-27-16-8-5-4-6-9-16/h4-6,8-9H,7,10-12H2,1-3H3,(H,21,24)(H,22,23)