methyl (2R)-2-acetamido-3-(3,4-dihydro-2H-quinolin-1-ylcarbonylsulfanyl)propanoate

Systemtic Name: methyl (2R)-2-acetamido-3-(3,4-dihydro-2H-quinolin-1-ylcarbonylsulfanyl)propanoate Openeye Name: methyl (2R)-2-acetamido-3-(3,4-dihydro-2H-quinoline-1-carbonylsulfanyl)propanoate CAS Name: (2R)-2-acetamido-3-[[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-acetamido-3-(3,4-dihydro-2H-quinoline-1-carbonylsulfanyl)propanoate Traditional Name: (2R)-2-acetamido-3-(3,4-dihydro-2H-quinoline-1-carbonylthio)propionic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)N1CCCC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CSC(=O)N1CCCC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C16H20N2O4S/c1-11(19)17-13(15(20)22-2)10-23-16(21)18-9-5-7-12-6-3-4-8-14(12)18/h3-4,6,8,13H,5,7,9-10H2,1-2H3,(H,17,19)/t13-/m0/s1