ethyl 5-(3,4-dimethoxyphenyl)-3-[(4-nitrophenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(3,4-dimethoxyphenyl)-3-[(4-nitrophenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(3,4-dimethoxyphenyl)-3-[(4-nitrobenzoyl)amino]thiophene-2-carboxylate CAS Name: 5-(3,4-dimethoxyphenyl)-3-[[(4-nitrophenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,4-dimethoxyphenyl)-3-[(4-nitrobenzoyl)amino]thiophene-2-carboxylate Traditional Name: 5-(3,4-dimethoxyphenyl)-3-[(4-nitrobenzoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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