[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C19H20ClNO4S2 MolecularWeight: 425.9494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C19H20ClNO4S2/c20-17-9-8-16(27-17)15(22)7-10-19(24)25-13-18(23)21-11-4-12-26-14-5-2-1-3-6-14/h1-3,5-6,8-9H,4,7,10-13H2,(H,21,23)