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

Systemtic Name: (phenylmethyl) (4S)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl (4S)-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(3-thiophenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(3-thienyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C24H25NO3S MolecularWeight: 407.5252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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