phenethyl (4S)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: phenethyl (4S)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4S)-2-methyl-5-oxo-4-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C23H23NO3S MolecularWeight: 393.49862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC=CS4)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC=CS4)C(=O)CCC2

InChI

InChI=1S/C23H23NO3S/c1-15-20(23(26)27-13-12-16-7-3-2-4-8-16)22(19-11-6-14-28-19)21-17(24-15)9-5-10-18(21)25/h2-4,6-8,11,14,20,22H,5,9-10,12-13H2,1H3/t20?,22-/m0/s1