2-ethylsulfanylethyl (4R,7S)-7-(4-ethoxy-3-methoxy-phenyl)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R,7S)-7-(4-ethoxy-3-methoxy-phenyl)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R,7S)-7-(4-ethoxy-3-methoxy-phenyl)-2-methyl-5-oxo-4-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,7S)-7-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R,7S)-7-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,7S)-7-(4-ethoxy-3-methoxy-phenyl)-5-keto-2-methyl-4-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C28H33NO5S2 MolecularWeight: 527.69532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2CC3=NC(=C(C(C3C(=O)C2)C4=CC=CS4)C(=O)OCCSCC)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H]2CC3=NC(=C([C@@H](C3C(=O)C2)C4=CC=CS4)C(=O)OCCSCC)C)OC

InChI

InChI=1S/C28H33NO5S2/c1-5-33-22-10-9-18(16-23(22)32-4)19-14-20-26(21(30)15-19)27(24-8-7-12-36-24)25(17(3)29-20)28(31)34-11-13-35-6-2/h7-10,12,16,19,26-27H,5-6,11,13-15H2,1-4H3/t19-,26?,27-/m0/s1