methyl (2S)-2-azanyl-3-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: methyl (2S)-2-amino-3-[(6-methoxy-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: (2S)-2-amino-3-[(6-methoxy-2-methyl-4-quinolinyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-(6-methoxy-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: (2S)-2-amino-3-[(6-methoxy-2-methyl-4-quinolyl)thio]propionic acid methyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(C(=O)OC)N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SC[C@H](C(=O)OC)N

InChI

InChI=1S/C15H18N2O3S/c1-9-6-14(21-8-12(16)15(18)20-3)11-7-10(19-2)4-5-13(11)17-9/h4-7,12H,8,16H2,1-3H3/t12-/m1/s1