2-ethylsulfanylethyl (4S,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(3,4-dimethoxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C27H31NO5S2 MolecularWeight: 513.66874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)OC)C(=O)CC(C2)C4=CC=CS4)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=C(C=C3)OC)OC)C(=O)C[C@@H](C2)C4=CC=CS4)C

InChI

InChI=1S/C27H31NO5S2/c1-5-34-12-10-33-27(30)24-16(2)28-19-13-18(23-7-6-11-35-23)14-20(29)26(19)25(24)17-8-9-21(31-3)22(15-17)32-4/h6-9,11,15,18,25,28H,5,10,12-14H2,1-4H3/t18-,25-/m1/s1