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

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N)SCC(=O)N

InChI

InChI=1S/C17H16ClN3O4S/c18-11-6-5-10(7-12(11)19)17(24)25-8-16(23)21-13-3-1-2-4-14(13)26-9-15(20)22/h1-7H,8-9,19H2,(H2,20,22)(H,21,23)