(4S,4aS)-2-methyl-4-(4-methylsulfanylphenyl)-3-morpholin-4-ylcarbonyl-4,4a,6,7-tetrahydro-3H-quinolin-5-one

Systemtic Name: (4S,4aS)-2-methyl-4-(4-methylsulfanylphenyl)-3-morpholin-4-ylcarbonyl-4,4a,6,7-tetrahydro-3H-quinolin-5-one Openeye Name: (4S,4aS)-2-methyl-4-(4-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)-4,4a,6,7-tetrahydro-3H-quinolin-5-one CAS Name: (4S,4aS)-2-methyl-4-[4-(methylthio)phenyl]-3-[4-morpholinyl(oxo)methyl]-4,4a,6,7-tetrahydro-3H-quinolin-5-one IUPAC Name: (4S,4aS)-2-methyl-4-(4-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)-4,4a,6,7-tetrahydro-3H-quinolin-5-one Traditional Name: (4S,4aS)-2-methyl-4-[4-(methylthio)phenyl]-3-(morpholine-4-carbonyl)-4,4a,6,7-tetrahydro-3H-quinolin-5-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CCCC(=O)C2C(C1C(=O)N3CCOCC3)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=NC2=CCCC(=O)[C@H]2[C@@H](C1C(=O)N3CCOCC3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C22H26N2O3S/c1-14-19(22(26)24-10-12-27-13-11-24)20(15-6-8-16(28-2)9-7-15)21-17(23-14)4-3-5-18(21)25/h4,6-9,19-21H,3,5,10-13H2,1-2H3/t19?,20-,21+/m1/s1