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

Systemtic Name: (phenylmethyl) (4S)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC=CS4)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OCC3=CC=CC=C3)C4=CC=CS4)C(=O)CC(C2)(C)C

InChI

InChI=1S/C24H25NO3S/c1-15-20(23(27)28-14-16-8-5-4-6-9-16)22(19-10-7-11-29-19)21-17(25-15)12-24(2,3)13-18(21)26/h4-11,20,22H,12-14H2,1-3H3/t20?,22-/m0/s1