[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H19NO3S/c1-26-18-11-7-16(8-12-18)20(23)14-25-21(24)13-10-17-9-6-15-4-2-3-5-19(15)22-17/h2-9,11-12H,10,13-14H2,1H3