3-(3-ethyl-8-methoxy-2-methyl-quinolin-4-yl)sulfanylpropanoate

Systemtic Name: 3-(3-ethyl-8-methoxy-2-methyl-quinolin-4-yl)sulfanylpropanoate Openeye Name: 3-[(3-ethyl-8-methoxy-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: 3-[(3-ethyl-8-methoxy-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: 3-(3-ethyl-8-methoxy-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: 3-[(3-ethyl-8-methoxy-2-methyl-4-quinolyl)thio]propionate Formula: C16H18NO3S- MolecularWeight: 304.38402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=CC=C2)OC)N=C1C)SCCC(=O)[O-]

Isomeric SMILES

CCC1=C(C2=C(C(=CC=C2)OC)N=C1C)SCCC(=O)[O-]

InChI

InChI=1S/C16H19NO3S/c1-4-11-10(2)17-15-12(6-5-7-13(15)20-3)16(11)21-9-8-14(18)19/h5-7H,4,8-9H2,1-3H3,(H,18,19)/p-1