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

Systemtic Name: methyl 2-[[4-(2-hydroxyethylamino)-3-nitro-phenyl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(2-hydroxyethylamino)-3-nitro-benzoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2-hydroxyethylamino)-3-nitrophenyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-hydroxyethylamino)-3-nitrobenzoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(2-hydroxyethylamino)-3-nitro-benzoyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)NCCO)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)NCCO)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-30-21(27)18-15(13-5-3-2-4-6-13)12-31-20(18)23-19(26)14-7-8-16(22-9-10-25)17(11-14)24(28)29/h2-8,11-12,22,25H,9-10H2,1H3,(H,23,26)