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

Systemtic Name: ethyl 2-methylidene-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-4-24-20(23)17-12(2)21-15-6-5-7-16(22)19(15)18(17)13-8-10-14(25-3)11-9-13/h8-11,17-18,21H,2,4-7H2,1,3H3