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

Systemtic Name: methyl 4,5-dimethyl-2-[2-[(2-methyl-5-nitro-phenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-(2-methyl-5-nitro-anilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(2-methyl-5-nitroanilino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-(2-methyl-5-nitroanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(2-methyl-5-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(C=C(C=C1)[N+](=O)[O-])NCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

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