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

Systemtic Name: (phenylmethyl) 4-[(2,4-dimethyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl)sulfanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-[(5-benzyloxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)sulfanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(2,4-dimethyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl)thio]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2,4-dimethyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl)sulfanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(5-carbobenzoxy-2,4-dimethyl-1H-pyrrol-3-yl)thio]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1SC2=C(NC(=C2C)C(=O)OCC3=CC=CC=C3)C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC(=C1SC2=C(NC(=C2C)C(=O)OCC3=CC=CC=C3)C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O4S/c1-17-23(27(31)33-15-21-11-7-5-8-12-21)29-19(3)25(17)35-26-18(2)24(30-20(26)4)28(32)34-16-22-13-9-6-10-14-22/h5-14,29-30H,15-16H2,1-4H3