methyl 4-methyl-2-[(3-nitrophenyl)carbonylamino]-5-(propylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(3-nitrophenyl)carbonylamino]-5-(propylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(propylcarbamoyl)thiophene-3-carboxylate CAS Name: 4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-5-[oxo(propylamino)methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(propylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(propylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c1-4-8-19-16(23)14-10(2)13(18(24)27-3)17(28-14)20-15(22)11-6-5-7-12(9-11)21(25)26/h5-7,9H,4,8H2,1-3H3,(H,19,23)(H,20,22)