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

Systemtic Name: methyl 5-(4-cyclohexylphenyl)carbonyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 5-(4-cyclohexylbenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[(4-cyclohexylphenyl)-oxomethyl]-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-cyclohexylbenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-(4-cyclohexylbenzoyl)-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C4CCCCC4)SC

Isomeric SMILES

COC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C4CCCCC4)SC

InChI

InChI=1S/C23H27NO3S/c1-27-23(26)18-12-13-24-19(18)14-20(28-2)21(24)22(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,18H,3-7,12-13H2,1-2H3