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

Systemtic Name: 2-ethylsulfanylethyl (4R)-4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-o-phenetyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C25H33NO4S MolecularWeight: 443.59882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OCCSCC)C)CC(CC3=O)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO4S/c1-6-29-20-11-9-8-10-17(20)22-21(24(28)30-12-13-31-7-2)16(3)26-18-14-25(4,5)15-19(27)23(18)22/h8-11,22-23H,6-7,12-15H2,1-5H3/t22-,23?/m1/s1