2-ethylsulfanylethyl (4S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-4-(1,3-benzodioxol-5-yl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C

InChI

InChI=1S/C22H25NO5S/c1-3-29-10-9-26-22(25)19-13(2)23-15-5-4-6-16(24)21(15)20(19)14-7-8-17-18(11-14)28-12-27-17/h7-8,11,20,23H,3-6,9-10,12H2,1-2H3/t20-/m1/s1