propan-2-yl 2-acetamido-3-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate

Systemtic Name: propan-2-yl 2-acetamido-3-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: isopropyl 2-acetamido-3-[(6-bromo-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: 2-acetamido-3-[(6-bromo-2-methyl-4-quinolinyl)thio]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-acetamido-3-(6-bromo-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: 2-acetamido-3-[(6-bromo-2-methyl-4-quinolyl)thio]propionic acid isopropyl ester Formula: C18H21BrN2O3S MolecularWeight: 425.33994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)OC(C)C)NC(=O)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)OC(C)C)NC(=O)C

InChI

InChI=1S/C18H21BrN2O3S/c1-10(2)24-18(23)16(21-12(4)22)9-25-17-7-11(3)20-15-6-5-13(19)8-14(15)17/h5-8,10,16H,9H2,1-4H3,(H,21,22)