(phenylmethyl) (3S,4R)-2-methyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2C(C(=NC3=C2C(=O)CCC3)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)[C@@H]2[C@@H](C(=NC3=C2C(=O)CCC3)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H23NO3S/c1-14-11-12-19(28-14)22-20(23(26)27-13-16-7-4-3-5-8-16)15(2)24-17-9-6-10-18(25)21(17)22/h3-5,7-8,11-12,20,22H,6,9-10,13H2,1-2H3/t20-,22-/m1/s1