ethyl 2-benzamido-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-benzamido-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: ethyl 2-benzamido-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate CAS Name: 2-benzamido-4-methyl-5-[(3-nitroanilino)-oxomethyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzamido-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 2-benzamido-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylic acid ethyl ester Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O6S/c1-3-31-22(28)17-13(2)18(20(27)23-15-10-7-11-16(12-15)25(29)30)32-21(17)24-19(26)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3,(H,23,27)(H,24,26)