2-ethylsulfanylethyl (4S,4aS)-2-methyl-5-oxidanylidene-4-pyridin-3-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,4aS)-2-methyl-5-oxidanylidene-4-pyridin-3-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,4aS)-2-methyl-5-oxo-4-(3-pyridyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS)-2-methyl-5-oxo-4-(3-pyridinyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,4aS)-2-methyl-5-oxo-4-pyridin-3-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-5-keto-2-methyl-4-(3-pyridyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2C(=O)CCC=C2N=C1C)C3=CN=CC=C3

Isomeric SMILES

CCSCCOC(=O)C1[C@H]([C@@H]2C(=O)CCC=C2N=C1C)C3=CN=CC=C3

InChI

InChI=1S/C20H24N2O3S/c1-3-26-11-10-25-20(24)17-13(2)22-15-7-4-8-16(23)19(15)18(17)14-6-5-9-21-12-14/h5-7,9,12,17-19H,3-4,8,10-11H2,1-2H3/t17?,18-,19+/m1/s1