(phenylmethyl) 5-methyl-4-[(2-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl)sulfanyl]-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-4-[(2-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl)sulfanyl]-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-[(5-benzyloxycarbonyl-2-methyl-1H-pyrrol-3-yl)sulfanyl]-5-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-methyl-4-[(2-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl)thio]-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-4-[(2-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl)sulfanyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[(5-carbobenzoxy-2-methyl-1H-pyrrol-3-yl)thio]-5-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1)C(=O)OCC2=CC=CC=C2)SC3=C(NC(=C3)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(N1)C(=O)OCC2=CC=CC=C2)SC3=C(NC(=C3)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C26H24N2O4S/c1-17-23(13-21(27-17)25(29)31-15-19-9-5-3-6-10-19)33-24-14-22(28-18(24)2)26(30)32-16-20-11-7-4-8-12-20/h3-14,27-28H,15-16H2,1-2H3