dimethyl 5-[(4-bromophenyl)-[N-(4-methylphenyl)-C-phenyl-carbonimidoyl]amino]-4-pyridin-2-yl-thiophene-2,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-bromophenyl)-[N-(4-methylphenyl)-C-phenyl-carbonimidoyl]amino]-4-pyridin-2-yl-thiophene-2,3-dicarboxylate Openeye Name: dimethyl 5-(4-bromo-N-[C-phenyl-N-(p-tolyl)carbonimidoyl]anilino)-4-(2-pyridyl)thiophene-2,3-dicarboxylate CAS Name: 5-(4-bromo-N-[(4-methylphenyl)imino-phenylmethyl]anilino)-4-(2-pyridinyl)thiophene-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-bromo-N-[N-(4-methylphenyl)-C-phenylcarbonimidoyl]anilino)-4-pyridin-2-ylthiophene-2,3-dicarboxylate Traditional Name: 5-(4-bromo-N-[C-phenyl-N-(p-tolyl)carbonimidoyl]anilino)-4-(2-pyridyl)thiophene-2,3-dicarboxylic acid dimethyl ester Formula: C33H26BrN3O4S MolecularWeight: 640.54624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(C2=CC=CC=C2)N(C3=CC=C(C=C3)Br)C4=C(C(=C(S4)C(=O)OC)C(=O)OC)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)N=C(C2=CC=CC=C2)N(C3=CC=C(C=C3)Br)C4=C(C(=C(S4)C(=O)OC)C(=O)OC)C5=CC=CC=N5

InChI

InChI=1S/C33H26BrN3O4S/c1-21-12-16-24(17-13-21)36-30(22-9-5-4-6-10-22)37(25-18-14-23(34)15-19-25)31-27(26-11-7-8-20-35-26)28(32(38)40-2)29(42-31)33(39)41-3/h4-20H,1-3H3