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

Systemtic Name: methyl 4-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitro-benzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O7S/c1-12-9-14(5-7-16(12)24(27)28)20(25)23-21-19(22(26)31-4)15(11-32-21)13-6-8-17(29-2)18(10-13)30-3/h5-11H,1-4H3,(H,23,25)