methyl 3-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H19N3O6S/c1-21(11-17(23)20-15-6-4-5-7-16(15)29-3)18(24)12-8-13(19(25)28-2)10-14(9-12)22(26)27/h4-10H,11H2,1-3H3,(H,20,23)