methyl 4-(3,4-dimethylphenyl)-2-[(4-methoxy-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(3,4-dimethylphenyl)-2-[(4-methoxy-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(3,4-dimethylphenyl)-2-[(4-methoxy-3-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethylphenyl)-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[(4-methoxy-3-nitro-benzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C22H20N2O6S/c1-12-5-6-14(9-13(12)2)16-11-31-21(19(16)22(26)30-4)23-20(25)15-7-8-18(29-3)17(10-15)24(27)28/h5-11H,1-4H3,(H,23,25)