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

Systemtic Name: propan-2-yl 4-cyano-3-methyl-5-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-3-methyl-5-[(3-methyl-4-nitro-benzoyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(3-methyl-4-nitro-benzoyl)amino]thiophene-2-carboxylic acid isopropyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c1-9(2)26-18(23)15-11(4)13(8-19)17(27-15)20-16(22)12-5-6-14(21(24)25)10(3)7-12/h5-7,9H,1-4H3,(H,20,22)