[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-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=C(C=C2)Cl)N

Isomeric SMILES

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

InChI

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