4-[2-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]-1-benzothiophen-5-yl]benzoic acid

Systemtic Name: 4-[2-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]-1-benzothiophen-5-yl]benzoic acid Openeye Name: 4-[2-[(1-cyclohexyl-2-oxo-pyrrolidin-3-yl)methyl]benzothiophen-5-yl]benzoic acid CAS Name: 4-[2-[(1-cyclohexyl-2-oxo-3-pyrrolidinyl)methyl]-1-benzothiophen-5-yl]benzoic acid IUPAC Name: 4-[2-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]-1-benzothiophen-5-yl]benzoic acid Traditional Name: 4-[2-[(1-cyclohexyl-2-keto-pyrrolidin-3-yl)methyl]benzothiophen-5-yl]benzoic acid Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC(C2=O)CC3=CC4=C(S3)C=CC(=C4)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCC(C2=O)CC3=CC4=C(S3)C=CC(=C4)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H27NO3S/c28-25-20(12-13-27(25)22-4-2-1-3-5-22)15-23-16-21-14-19(10-11-24(21)31-23)17-6-8-18(9-7-17)26(29)30/h6-11,14,16,20,22H,1-5,12-13,15H2,(H,29,30)