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

Systemtic Name: phenethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(2-thienyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC=CS4)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC=CS4)C(=O)CC(C2)(C)C

InChI

InChI=1S/C25H27NO3S/c1-16-21(24(28)29-12-11-17-8-5-4-6-9-17)23(20-10-7-13-30-20)22-18(26-16)14-25(2,3)15-19(22)27/h4-10,13,21,23H,11-12,14-15H2,1-3H3/t21?,23-/m0/s1