[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-chloranylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-chloranylbenzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO3S/c19-15-7-4-6-14(12-15)18(22)23-13-17(21)20-10-5-11-24-16-8-2-1-3-9-16/h1-4,6-9,12H,5,10-11,13H2,(H,20,21)