methyl 4-anthracen-1-yl-5-(4-nitrophenyl)carbonyl-2-phenylazanyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-anthracen-1-yl-5-(4-nitrophenyl)carbonyl-2-phenylazanyl-thiophene-3-carboxylate Openeye Name: methyl 2-anilino-4-(1-anthryl)-5-(4-nitrobenzoyl)thiophene-3-carboxylate CAS Name: 2-anilino-4-(1-anthracenyl)-5-[(4-nitrophenyl)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-anilino-4-anthracen-1-yl-5-(4-nitrobenzoyl)thiophene-3-carboxylate Traditional Name: 2-anilino-4-(1-anthryl)-5-(4-nitrobenzoyl)thiophene-3-carboxylic acid methyl ester Formula: C33H22N2O5S MolecularWeight: 558.60318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1C2=CC=CC3=CC4=CC=CC=C4C=C32)C(=O)C5=CC=C(C=C5)[N+](=O)[O-])NC6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=C(SC(=C1C2=CC=CC3=CC4=CC=CC=C4C=C32)C(=O)C5=CC=C(C=C5)[N+](=O)[O-])NC6=CC=CC=C6

InChI

InChI=1S/C33H22N2O5S/c1-40-33(37)29-28(26-13-7-10-23-18-21-8-5-6-9-22(21)19-27(23)26)31(41-32(29)34-24-11-3-2-4-12-24)30(36)20-14-16-25(17-15-20)35(38)39/h2-19,34H,1H3