2-ethylsulfanylethyl (4S,4aR)-4-(4-hydroxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,4aR)-4-(4-hydroxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,4aR)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aR)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,4aR)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aR)-4-(4-hydroxyphenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=CC=C(C=C3)O)C

Isomeric SMILES

CCSCCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@H]1C3=CC=C(C=C3)O)C

InChI

InChI=1S/C21H25NO4S/c1-3-27-12-11-26-21(25)18-13(2)22-16-5-4-6-17(24)20(16)19(18)14-7-9-15(23)10-8-14/h7-10,19-20,23H,3-6,11-12H2,1-2H3/t19-,20+/m0/s1