(phenylmethyl) 5-(1-benzothiophen-3-ylmethyl)-4-ethanoyl-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-(1-benzothiophen-3-ylmethyl)-4-ethanoyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-acetyl-5-(benzothiophen-3-ylmethyl)-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-5-(1-benzothiophen-3-ylmethyl)-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-acetyl-5-(1-benzothiophen-3-ylmethyl)-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-5-(benzothiophen-3-ylmethyl)-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C24H21NO3S MolecularWeight: 403.49344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)CC2=CSC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)CC2=CSC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H21NO3S/c1-15-22(16(2)26)20(12-18-14-29-21-11-7-6-10-19(18)21)25-23(15)24(27)28-13-17-8-4-3-5-9-17/h3-11,14,25H,12-13H2,1-2H3