phenethyl (4S)-2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: phenethyl (4S)-2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (4S)-2,7,7-trimethyl-4-(5-methyl-2-thienyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(5-methyl-2-thiophenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(5-methyl-2-thienyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CC(CC3=O)(C)C

Isomeric SMILES

CC1=CC=C(S1)[C@H]2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C26H29NO3S/c1-16-10-11-21(31-16)24-22(25(29)30-13-12-18-8-6-5-7-9-18)17(2)27-19-14-26(3,4)15-20(28)23(19)24/h5-11,23-24H,12-15H2,1-4H3/t23?,24-/m1/s1