methyl 4-[[(2R)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[(2R)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]amino]benzoate Openeye Name: methyl 4-[[(1R)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[(2R)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]amino]benzoate Traditional Name: 4-[[(1R)-2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl]amino]benzoic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H20N2O3S/c1-12(17(21)20-15-6-4-5-7-16(15)24-3)19-14-10-8-13(9-11-14)18(22)23-2/h4-12,19H,1-3H3,(H,20,21)/t12-/m1/s1