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

Systemtic Name: methyl 4-cyano-3-methyl-5-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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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#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S/c1-8-6-10(4-5-12(8)19(22)23)14(20)18-15-11(7-17)9(2)13(25-15)16(21)24-3/h4-6H,1-3H3,(H,18,20)