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

Systemtic Name: methyl 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-(propanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-(propanoylamino)thiophene-3-carboxylate CAS Name: 4-methyl-5-[(3-nitroanilino)-oxomethyl]-2-(1-oxopropylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-(propanoylamino)thiophene-3-carboxylate Traditional Name: 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-propionamido-thiophene-3-carboxylic acid methyl ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C17H17N3O6S/c1-4-12(21)19-16-13(17(23)26-3)9(2)14(27-16)15(22)18-10-6-5-7-11(8-10)20(24)25/h5-8H,4H2,1-3H3,(H,18,22)(H,19,21)