methyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate Openeye Name: methyl 4-(4-isopropylphenyl)-2-[(3-methyl-4-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-4-(4-propan-2-ylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-4-nitrobenzoyl)amino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]-4-p-cumenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O5S/c1-13(2)15-5-7-16(8-6-15)18-12-31-22(20(18)23(27)30-4)24-21(26)17-9-10-19(25(28)29)14(3)11-17/h5-13H,1-4H3,(H,24,26)