ethyl (5Z)-5-[(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)methylidene]-2-methyl-4-phenyl-pyrrole-3-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl (5Z)-5-[(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)methylidene]-2-methyl-4-phenyl-pyrrole-3-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: ethyl (5Z)-5-[(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)methylene]-2-methyl-4-phenyl-pyrrole-3-carboxylate; 4-methylbenzenesulfonic acid CAS Name: (5Z)-5-[(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)methylidene]-2-methyl-4-phenyl-3-pyrrolecarboxylic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl (5Z)-5-[(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)methylidene]-2-methyl-4-phenylpyrrole-3-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: (5Z)-5-[(4-carbethoxy-5-methyl-3-phenyl-1H-pyrrol-2-yl)methylene]-2-methyl-4-phenyl-pyrrole-3-carboxylic acid ethyl ester; tosylic acid Formula: C36H36N2O7S MolecularWeight: 640.74524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C=C3C(=C(C(=N3)C)C(=O)OCC)C4=CC=CC=C4)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)/C=C\3/C(=C(C(=N3)C)C(=O)OCC)C4=CC=CC=C4)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C29H28N2O4.C7H8O3S/c1-5-34-28(32)24-18(3)30-22(26(24)20-13-9-7-10-14-20)17-23-27(21-15-11-8-12-16-21)25(19(4)31-23)29(33)35-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h7-17,30H,5-6H2,1-4H3;2-5H,1H3,(H,8,9,10)/b23-17-;