ethyl 2-[(3-chlorophenyl)carbamoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chlorophenyl)carbamoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chlorophenyl)carbamoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(3-chloroanilino)-oxomethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chlorophenyl)carbamoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-chlorophenyl)carbamoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H16ClN3O5S MolecularWeight: 445.87614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H16ClN3O5S/c1-2-29-19(25)17-16(12-5-3-8-15(9-12)24(27)28)11-30-18(17)23-20(26)22-14-7-4-6-13(21)10-14/h3-11H,2H2,1H3,(H2,22,23,26)