[3-(phenylmethyl)-1H-pyrrol-2-yl]methyl 2-(2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl 2-(2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: (3-benzyl-1H-pyrrol-2-yl)methyl 2-(2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(2-benzothiophen-1-yl)-3-methylbutanoic acid [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl ester IUPAC Name: (3-benzyl-1H-pyrrol-2-yl)methyl 2-(2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-isobenzothiophen-1-yl-3-methyl-butyric acid (3-benzyl-1H-pyrrol-2-yl)methyl ester Formula: C25H25NO2S MolecularWeight: 403.5365

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC=CC2=CS1)C(=O)OCC3=C(C=CN3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=C2C=CC=CC2=CS1)C(=O)OCC3=C(C=CN3)CC4=CC=CC=C4

InChI

InChI=1S/C25H25NO2S/c1-17(2)23(24-21-11-7-6-10-20(21)16-29-24)25(27)28-15-22-19(12-13-26-22)14-18-8-4-3-5-9-18/h3-13,16-17,23,26H,14-15H2,1-2H3