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

Systemtic Name: ethyl 3-[(4-methoxyphenyl)carbonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-[(4-methoxybenzoyl)amino]-5-(3-nitrophenyl)thiophene-2-carboxylate CAS Name: 3-[[(4-methoxyphenyl)-oxomethyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-methoxybenzoyl)amino]-5-(3-nitrophenyl)thiophene-2-carboxylate Traditional Name: 5-(3-nitrophenyl)-3-(p-anisoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O6S/c1-3-29-21(25)19-17(22-20(24)13-7-9-16(28-2)10-8-13)12-18(30-19)14-5-4-6-15(11-14)23(26)27/h4-12H,3H2,1-2H3,(H,22,24)