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

Systemtic Name: propan-2-yl 4-cyano-5-[(4-methoxy-3-nitro-phenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-5-[(4-methoxy-3-nitro-benzoyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(4-methoxy-3-nitro-benzoyl)amino]-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6S/c1-9(2)27-18(23)15-10(3)12(8-19)17(28-15)20-16(22)11-5-6-14(26-4)13(7-11)21(24)25/h5-7,9H,1-4H3,(H,20,22)