methyl 4-(2,4-dimethylphenyl)-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2,4-dimethylphenyl)-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,4-dimethylphenyl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,4-dimethylphenyl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(2,4-dimethylphenyl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S/c1-12-4-9-16(13(2)10-12)17-11-29-20(18(17)21(25)28-3)22-19(24)14-5-7-15(8-6-14)23(26)27/h4-11H,1-3H3,(H,22,24)