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

Systemtic Name: 3-(3-butyl-8-methoxy-2-methyl-quinolin-4-yl)sulfanylpropanoate Openeye Name: 3-[(3-butyl-8-methoxy-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: 3-[(3-butyl-8-methoxy-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: 3-(3-butyl-8-methoxy-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: 3-[(3-butyl-8-methoxy-2-methyl-4-quinolyl)thio]propionate Formula: C18H22NO3S- MolecularWeight: 332.43718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C(=CC=C2)OC)N=C1C)SCCC(=O)[O-]

Isomeric SMILES

CCCCC1=C(C2=C(C(=CC=C2)OC)N=C1C)SCCC(=O)[O-]

InChI

InChI=1S/C18H23NO3S/c1-4-5-7-13-12(2)19-17-14(8-6-9-15(17)22-3)18(13)23-11-10-16(20)21/h6,8-9H,4-5,7,10-11H2,1-3H3,(H,20,21)/p-1