methyl 2-[(2-methylquinolin-4-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(2-methylquinolin-4-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(2-methylquinoline-4-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methyl-4-quinolinyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(2-methylquinoline-4-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-methylquinoline-4-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C17H20N2O3S/c1-11-10-13(12-6-4-5-7-14(12)18-11)16(20)19-15(8-9-23-3)17(21)22-2/h4-7,10,15H,8-9H2,1-3H3,(H,19,20)