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

Systemtic Name: propan-2-yl 4-cyano-3-methyl-5-[(2-nitrophenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-3-methyl-5-[(2-nitrobenzoyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(2-nitrophenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-3-methyl-5-[(2-nitrobenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(2-nitrobenzoyl)amino]thiophene-2-carboxylic acid isopropyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-9(2)25-17(22)14-10(3)12(8-18)16(26-14)19-15(21)11-6-4-5-7-13(11)20(23)24/h4-7,9H,1-3H3,(H,19,21)