2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-7-(4-ethoxy-3-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-7-(4-ethoxy-3-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-7-(4-ethoxy-3-methoxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-7-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-7-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-7-(4-ethoxy-3-methoxy-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C31H35NO7S MolecularWeight: 565.6771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2CC(=O)C3C(C(=C(NC3=C2)C)C(=O)OCCSCC)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2CC(=O)C3C(C(=C(NC3=C2)C)C(=O)OCCSCC)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C31H35NO7S/c1-5-36-24-9-7-19(15-26(24)35-4)21-13-22-30(23(33)14-21)29(20-8-10-25-27(16-20)39-17-38-25)28(18(3)32-22)31(34)37-11-12-40-6-2/h7-10,13,15-16,21,29-30,32H,5-6,11-12,14,17H2,1-4H3