1-[[[3-bromanyl-2-(2-ethoxycarbonylphenyl)-1-benzothiophen-5-yl]methyl-pentanoyl-amino]methyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[[[3-bromanyl-2-(2-ethoxycarbonylphenyl)-1-benzothiophen-5-yl]methyl-pentanoyl-amino]methyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[[[3-bromo-2-(2-ethoxycarbonylphenyl)benzothiophen-5-yl]methyl-pentanoyl-amino]methyl]cyclopentanecarboxylic acid CAS Name: 1-[[[3-bromo-2-(2-ethoxycarbonylphenyl)-1-benzothiophen-5-yl]methyl-(1-oxopentyl)amino]methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[[3-bromo-2-(2-ethoxycarbonylphenyl)-1-benzothiophen-5-yl]methyl-pentanoylamino]methyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[[[3-bromo-2-(2-carbethoxyphenyl)benzothiophen-5-yl]methyl-valeryl-amino]methyl]cyclopentanecarboxylic acid Formula: C30H34BrNO5S MolecularWeight: 600.56366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC2=C(C=C1)SC(=C2Br)C3=CC=CC=C3C(=O)OCC)CC4(CCCC4)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC1=CC2=C(C=C1)SC(=C2Br)C3=CC=CC=C3C(=O)OCC)CC4(CCCC4)C(=O)O

InChI

InChI=1S/C30H34BrNO5S/c1-3-5-12-25(33)32(19-30(29(35)36)15-8-9-16-30)18-20-13-14-24-23(17-20)26(31)27(38-24)21-10-6-7-11-22(21)28(34)37-4-2/h6-7,10-11,13-14,17H,3-5,8-9,12,15-16,18-19H2,1-2H3,(H,35,36)