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

Systemtic Name: 2-ethylsulfanylethyl (4R)-4-(3-methoxy-4-phenylmethoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-4-(4-benzyloxy-3-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R)-4-(4-benzoxy-3-methoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C29H33NO5S MolecularWeight: 507.64102

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(CCCC2=O)N=C1C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C29H33NO5S/c1-4-36-16-15-34-29(32)26-19(2)30-22-11-8-12-23(31)28(22)27(26)21-13-14-24(25(17-21)33-3)35-18-20-9-6-5-7-10-20/h5-7,9-10,13-14,17,26-27H,4,8,11-12,15-16,18H2,1-3H3/t26?,27-/m0/s1