2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-2-methylidene-5-oxidanylidene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-2-methylidene-5-oxidanylidene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-2-methylene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-methylene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-2-methylidene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-keto-2-methylene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC1=C)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC1=C)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H29NO5S/c1-3-35-12-11-32-28(31)25-17(2)29-21-13-20(18-7-5-4-6-8-18)14-22(30)27(21)26(25)19-9-10-23-24(15-19)34-16-33-23/h4-10,15,20,25-26,29H,2-3,11-14,16H2,1H3