butan-2-yl 2-methylidene-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: butan-2-yl 2-methylidene-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: sec-butyl 2-methylene-4-(4-methylsulfanylphenyl)-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-4-[4-(methylthio)phenyl]-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-methylidene-4-(4-methylsulfanylphenyl)-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-[4-(methylthio)phenyl]-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid sec-butyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC=C(C=C3)SC

Isomeric SMILES

CCC(C)OC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H27NO3S/c1-5-13(2)26-22(25)19-14(3)23-17-7-6-8-18(24)21(17)20(19)15-9-11-16(27-4)12-10-15/h9-13,19-20,23H,3,5-8H2,1-2,4H3