diethyl 2-quinolin-8-ylsulfanylpropanedioate

Systemtic Name: diethyl 2-quinolin-8-ylsulfanylpropanedioate Openeye Name: diethyl 2-(8-quinolylsulfanyl)propanedioate CAS Name: 2-(8-quinolinylthio)propanedioic acid diethyl ester IUPAC Name: diethyl 2-quinolin-8-ylsulfanylpropanedioate Traditional Name: 2-(8-quinolylthio)malonic acid diethyl ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=CC=CC2=C1N=CC=C2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C16H17NO4S/c1-3-20-15(18)14(16(19)21-4-2)22-12-9-5-7-11-8-6-10-17-13(11)12/h5-10,14H,3-4H2,1-2H3