2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-4-(1-naphthalenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-(1-naphthyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C27H31NO3S MolecularWeight: 449.60494

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H31NO3S/c1-5-32-14-13-31-26(30)23-17(2)28-21-15-27(3,4)16-22(29)25(21)24(23)20-12-8-10-18-9-6-7-11-19(18)20/h6-12,23-24H,5,13-16H2,1-4H3/t23?,24-/m0/s1