methyl 4a-ethyl-7-oxidanyl-4-phenylsulfanyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate

Systemtic Name: methyl 4a-ethyl-7-oxidanyl-4-phenylsulfanyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate Openeye Name: methyl 4a-ethyl-7-hydroxy-4-phenylsulfanyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate CAS Name: 4a-ethyl-7-hydroxy-4-(phenylthio)-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid methyl ester IUPAC Name: methyl 4a-ethyl-7-hydroxy-4-phenylsulfanyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate Traditional Name: 4a-ethyl-7-hydroxy-4-(phenylthio)-3,4,5,6,7,7a-hexahydro-2H-1-pyrindine-1-carboxylic acid methyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC(C1N(CCC2SC3=CC=CC=C3)C(=O)OC)O

Isomeric SMILES

CCC12CCC(C1N(CCC2SC3=CC=CC=C3)C(=O)OC)O

InChI

InChI=1S/C18H25NO3S/c1-3-18-11-9-14(20)16(18)19(17(21)22-2)12-10-15(18)23-13-7-5-4-6-8-13/h4-8,14-16,20H,3,9-12H2,1-2H3