[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-azanyl-3-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O3S/c19-15-9-4-8-14(17(15)20)18(23)24-12-16(22)21-10-5-11-25-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12,20H2,(H,21,22)