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

Systemtic Name: methyl 2-[2-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]amino]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[2-(2-hydroxyethylamino)-5-nitro-anilino]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[2-(2-hydroxyethylamino)-5-nitroanilino]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[2-(2-hydroxyethylamino)-5-nitro-anilino]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22N4O6S MolecularWeight: 422.45548

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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-])NCCO)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6S/c1-10-11(2)29-17(16(10)18(25)28-3)21-15(24)9-20-14-8-12(22(26)27)4-5-13(14)19-6-7-23/h4-5,8,19-20,23H,6-7,9H2,1-3H3,(H,21,24)