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

Systemtic Name: 2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-keto-7,7-dimethyl-2-methylene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)NC1=C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)NC1=C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H29NO5S/c1-5-31-9-8-28-23(27)20-14(2)25-16-11-24(3,4)12-17(26)22(16)21(20)15-6-7-18-19(10-15)30-13-29-18/h6-7,10,20-21,25H,2,5,8-9,11-13H2,1,3-4H3