methyl 4,5-dimethyl-2-[2-[(2-methyl-3-nitro-phenyl)amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-[(2-methyl-3-nitro-phenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-(2-methyl-3-nitro-anilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(2-methyl-3-nitroanilino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-(2-methyl-3-nitroanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(2-methyl-3-nitro-anilino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=C(C(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=C(C(=CC=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C17H19N3O5S/c1-9-11(3)26-16(15(9)17(22)25-4)19-14(21)8-18-12-6-5-7-13(10(12)2)20(23)24/h5-7,18H,8H2,1-4H3,(H,19,21)