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

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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