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

Systemtic Name: oxolan-2-ylmethyl 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: tetrahydrofuran-2-ylmethyl 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-[4-(methylthio)phenyl]-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylic acid tetrahydrofurfuryl ester Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)SC)C(=O)OCC4CCCO4

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)SC)C(=O)OCC4CCCO4

InChI

InChI=1S/C25H31NO4S/c1-15-21(24(28)30-14-17-6-5-11-29-17)22(16-7-9-18(31-4)10-8-16)23-19(26-15)12-25(2,3)13-20(23)27/h7-10,17,22,26H,5-6,11-14H2,1-4H3