4-[[3-chloranyl-2-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]-1-benzothiophen-6-yl]oxy]butanoic acid

Systemtic Name: 4-[[3-chloranyl-2-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]-1-benzothiophen-6-yl]oxy]butanoic acid Openeye Name: 4-[3-chloro-2-[(1-cyclohexyl-2-oxo-pyrrolidin-3-yl)methyl]benzothiophen-6-yl]oxybutanoic acid CAS Name: 4-[[3-chloro-2-[(1-cyclohexyl-2-oxo-3-pyrrolidinyl)methyl]-1-benzothiophen-6-yl]oxy]butanoic acid IUPAC Name: 4-[[3-chloro-2-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]-1-benzothiophen-6-yl]oxy]butanoic acid Traditional Name: 4-[3-chloro-2-[(1-cyclohexyl-2-keto-pyrrolidin-3-yl)methyl]benzothiophen-6-yl]oxybutyric acid Formula: C23H28ClNO4S MolecularWeight: 449.99072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC(C2=O)CC3=C(C4=C(S3)C=C(C=C4)OCCCC(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)N2CCC(C2=O)CC3=C(C4=C(S3)C=C(C=C4)OCCCC(=O)O)Cl

InChI

InChI=1S/C23H28ClNO4S/c24-22-18-9-8-17(29-12-4-7-21(26)27)14-19(18)30-20(22)13-15-10-11-25(23(15)28)16-5-2-1-3-6-16/h8-9,14-16H,1-7,10-13H2,(H,26,27)