1-[[[2-(2-cyanophenyl)-1-benzothiophen-5-yl]methyl-pentanoyl-amino]methyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[[[2-(2-cyanophenyl)-1-benzothiophen-5-yl]methyl-pentanoyl-amino]methyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[[[2-(2-cyanophenyl)benzothiophen-5-yl]methyl-pentanoyl-amino]methyl]cyclopentanecarboxylic acid CAS Name: 1-[[[2-(2-cyanophenyl)-1-benzothiophen-5-yl]methyl-(1-oxopentyl)amino]methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[[2-(2-cyanophenyl)-1-benzothiophen-5-yl]methyl-pentanoylamino]methyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[[[2-(2-cyanophenyl)benzothiophen-5-yl]methyl-valeryl-amino]methyl]cyclopentanecarboxylic acid Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC2=C(C=C1)SC(=C2)C3=CC=CC=C3C#N)CC4(CCCC4)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC1=CC2=C(C=C1)SC(=C2)C3=CC=CC=C3C#N)CC4(CCCC4)C(=O)O

InChI

InChI=1S/C28H30N2O3S/c1-2-3-10-26(31)30(19-28(27(32)33)13-6-7-14-28)18-20-11-12-24-22(15-20)16-25(34-24)23-9-5-4-8-21(23)17-29/h4-5,8-9,11-12,15-16H,2-3,6-7,10,13-14,18-19H2,1H3,(H,32,33)