propan-2-yl 4-aminocarbonyl-3-methyl-5-[(3-nitrophenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-aminocarbonyl-3-methyl-5-[(3-nitrophenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: isopropyl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate CAS Name: 4-carbamoyl-3-methyl-5-[[(3-nitrophenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylic acid isopropyl ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C17H17N3O6S/c1-8(2)26-17(23)13-9(3)12(14(18)21)16(27-13)19-15(22)10-5-4-6-11(7-10)20(24)25/h4-8H,1-3H3,(H2,18,21)(H,19,22)