[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(azanyl)benzoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(azanyl)benzoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3,5-diaminobenzoate CAS Name: 3,5-diaminobenzoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3,5-diaminobenzoate Traditional Name: 3,5-diaminobenzoic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2)N)N

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2)N)N

InChI

InChI=1S/C16H17N3O3S/c1-23-14-5-3-2-4-13(14)19-15(20)9-22-16(21)10-6-11(17)8-12(18)7-10/h2-8H,9,17-18H2,1H3,(H,19,20)