ethyl 4-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O7S/c1-4-31-22(26)19-16(13-8-9-17(29-2)18(11-13)30-3)12-32-21(19)23-20(25)14-6-5-7-15(10-14)24(27)28/h5-12H,4H2,1-3H3,(H,23,25)