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

Systemtic Name: methyl 3-[[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]methyl]benzoate Openeye Name: methyl 3-[[2-(2-amino-2-oxo-ethyl)sulfanylanilino]methyl]benzoate CAS Name: 3-[[2-[(2-amino-2-oxoethyl)thio]anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-amino-2-oxoethyl)sulfanylanilino]methyl]benzoate Traditional Name: 3-[[2-[(2-amino-2-keto-ethyl)thio]anilino]methyl]benzoic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CNC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CNC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C17H18N2O3S/c1-22-17(21)13-6-4-5-12(9-13)10-19-14-7-2-3-8-15(14)23-11-16(18)20/h2-9,19H,10-11H2,1H3,(H2,18,20)