methyl 4-(4-ethoxyphenyl)-5-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-5-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-nitrobenzoyl)amino]-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H20N2O6S/c1-4-30-17-11-7-14(8-12-17)18-13(2)31-21(19(18)22(26)29-3)23-20(25)15-5-9-16(10-6-15)24(27)28/h5-12H,4H2,1-3H3,(H,23,25)