methyl (4S)-2,7,7-trimethyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4S)-2,7,7-trimethyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4S)-2,7,7-trimethyl-4-(3-methylbenzothiophen-2-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2,7,7-trimethyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(3-methylbenzothiophen-2-yl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C3C4C(=NC(=C3C(=O)OC)C)CC(CC4=O)(C)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)[C@H]3C4C(=NC(=C3C(=O)OC)C)CC(CC4=O)(C)C

InChI

InChI=1S/C23H25NO3S/c1-12-14-8-6-7-9-17(14)28-21(12)20-18(22(26)27-5)13(2)24-15-10-23(3,4)11-16(25)19(15)20/h6-9,19-20H,10-11H2,1-5H3/t19?,20-/m1/s1