2-ethylsulfanylethyl (4R)-2-methyl-5-oxidanylidene-4-(3-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R)-2-methyl-5-oxidanylidene-4-(3-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-2-methyl-5-oxo-4-(3-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R)-2-methyl-5-oxo-4-(3-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-2-methyl-5-oxo-4-(3-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R)-5-keto-2-methyl-4-(3-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C27H29NO4S MolecularWeight: 463.58846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(CCCC2=O)N=C1C)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H29NO4S/c1-3-33-16-15-31-27(30)24-18(2)28-22-13-8-14-23(29)26(22)25(24)19-9-7-12-21(17-19)32-20-10-5-4-6-11-20/h4-7,9-12,17,24-25H,3,8,13-16H2,1-2H3/t24?,25-/m0/s1