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

Systemtic Name: methyl 4,5-dimethyl-2-[2-[(3-nitrophenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-(3-nitroanilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(3-nitroanilino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-(3-nitroanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(3-nitroanilino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S/c1-9-10(2)25-15(14(9)16(21)24-3)18-13(20)8-17-11-5-4-6-12(7-11)19(22)23/h4-7,17H,8H2,1-3H3,(H,18,20)