5-(4-cyclohexylphenyl)carbonyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 5-(4-cyclohexylphenyl)carbonyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(4-cyclohexylbenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[(4-cyclohexylphenyl)-oxomethyl]-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(4-cyclohexylbenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-(4-cyclohexylbenzoyl)-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N2CCC(C2=C1)C(=O)O)C(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CSC1=C(N2CCC(C2=C1)C(=O)O)C(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C22H25NO3S/c1-27-19-13-18-17(22(25)26)11-12-23(18)20(19)21(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,25,26)