(2R)-2-benzamido-3-(6-ethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoate

Systemtic Name: (2R)-2-benzamido-3-(6-ethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: (2R)-2-benzamido-3-[(6-ethoxy-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: (2R)-2-benzamido-3-[(6-ethoxy-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: (2R)-2-benzamido-3-(6-ethoxy-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: (2R)-2-benzamido-3-[(6-ethoxy-2-methyl-4-quinolyl)thio]propionate Formula: C22H21N2O4S- MolecularWeight: 409.47814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2SCC(C(=O)[O-])NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2SC[C@@H](C(=O)[O-])NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O4S/c1-3-28-16-9-10-18-17(12-16)20(11-14(2)23-18)29-13-19(22(26)27)24-21(25)15-7-5-4-6-8-15/h4-12,19H,3,13H2,1-2H3,(H,24,25)(H,26,27)/p-1/t19-/m0/s1