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

Systemtic Name: 2-ethylsulfanylethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C28H28BrNO5S MolecularWeight: 570.49462

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)C5=CC=CC=C5)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)C5=CC=CC=C5)C

InChI

InChI=1S/C28H28BrNO5S/c1-3-36-10-9-33-28(32)25-16(2)30-21-11-18(17-7-5-4-6-8-17)12-22(31)27(21)26(25)19-13-23-24(14-20(19)29)35-15-34-23/h4-8,13-14,18,26,30H,3,9-12,15H2,1-2H3