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

Systemtic Name: 2-ethylsulfanylethyl (4R)-4-(3-methoxy-4-propoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-4-(3-methoxy-4-propoxy-phenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(3-methoxy-4-propoxyphenyl)-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-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-4-(3-methoxy-4-propoxy-phenyl)-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C27H37NO5S MolecularWeight: 487.65138

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)OCCSCC)C)CC(CC3=O)(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OCCSCC)C)CC(CC3=O)(C)C)OC

InChI

InChI=1S/C27H37NO5S/c1-7-11-32-21-10-9-18(14-22(21)31-6)24-23(26(30)33-12-13-34-8-2)17(3)28-19-15-27(4,5)16-20(29)25(19)24/h9-10,14,24-25H,7-8,11-13,15-16H2,1-6H3/t24-,25?/m1/s1