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

Systemtic Name: methyl 2-[[4-(2-hydroxyethylamino)-3-nitro-phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(2-hydroxyethylamino)-3-nitro-benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2-hydroxyethylamino)-3-nitrophenyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-hydroxyethylamino)-3-nitrobenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-(2-hydroxyethylamino)-3-nitro-benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-9-10(2)27-16(14(9)17(23)26-3)19-15(22)11-4-5-12(18-6-7-21)13(8-11)20(24)25/h4-5,8,18,21H,6-7H2,1-3H3,(H,19,22)