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

Systemtic Name: oxolan-2-ylmethyl 2-methylidene-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: tetrahydrofuran-2-ylmethyl 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 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 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 tetrahydrofurfuryl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCC4CCCO4

Isomeric SMILES

CSC1=CC=C(C=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCC4CCCO4

InChI

InChI=1S/C23H27NO4S/c1-14-20(23(26)28-13-16-5-4-12-27-16)21(15-8-10-17(29-2)11-9-15)22-18(24-14)6-3-7-19(22)25/h8-11,16,20-21,24H,1,3-7,12-13H2,2H3