2-ethylsulfanylethyl (4R)-4-(3-ethoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R)-4-(3-ethoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-4-(3-ethoxy-4-hydroxy-phenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=NC(=C2C(=O)OCCSCC)C)CC(CC3=O)(C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C3C(=NC(=C2C(=O)OCCSCC)C)CC(CC3=O)(C)C)O

InChI

InChI=1S/C25H33NO5S/c1-6-30-20-12-16(8-9-18(20)27)22-21(24(29)31-10-11-32-7-2)15(3)26-17-13-25(4,5)14-19(28)23(17)22/h8-9,12,22-23,27H,6-7,10-11,13-14H2,1-5H3/t22-,23?/m1/s1