[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=C(C=CS2)N3C=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=C(C=CS2)N3C=CC=C3

InChI

InChI=1S/C20H20N2O3S2/c23-18(21-10-6-13-26-16-7-2-1-3-8-16)15-25-20(24)19-17(9-14-27-19)22-11-4-5-12-22/h1-5,7-9,11-12,14H,6,10,13,15H2,(H,21,23)