(3R,4aS)-4a-methyl-3-phenylsulfanyl-1,3,4,5,6,7-hexahydroquinolin-2-one

Systemtic Name: (3R,4aS)-4a-methyl-3-phenylsulfanyl-1,3,4,5,6,7-hexahydroquinolin-2-one Openeye Name: (3R,4aS)-4a-methyl-3-phenylsulfanyl-1,3,4,5,6,7-hexahydroquinolin-2-one CAS Name: (3R,4aS)-4a-methyl-3-(phenylthio)-1,3,4,5,6,7-hexahydroquinolin-2-one IUPAC Name: (3R,4aS)-4a-methyl-3-phenylsulfanyl-1,3,4,5,6,7-hexahydroquinolin-2-one Traditional Name: (3R,4aS)-4a-methyl-3-(phenylthio)-1,3,4,5,6,7-hexahydroquinolin-2-one Formula: C16H19NOS MolecularWeight: 273.39316

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC=C1NC(=O)C(C2)SC3=CC=CC=C3

Isomeric SMILES

C[C@@]12CCCC=C1NC(=O)[C@@H](C2)SC3=CC=CC=C3

InChI

InChI=1S/C16H19NOS/c1-16-10-6-5-9-14(16)17-15(18)13(11-16)19-12-7-3-2-4-8-12/h2-4,7-9,13H,5-6,10-11H2,1H3,(H,17,18)/t13-,16+/m1/s1