2-ethylsulfanylethyl (4S)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-carbomethoxyphenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO5S/c1-6-32-12-11-31-24(29)20-15(2)26-18-13-25(3,4)14-19(27)22(18)21(20)16-7-9-17(10-8-16)23(28)30-5/h7-10,20-21H,6,11-14H2,1-5H3/t20?,21-/m1/s1