S-pent-4-ynyl 2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl)ethanethioate

Systemtic Name: S-pent-4-ynyl 2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl)ethanethioate Openeye Name: S-pent-4-ynyl 2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethanethioate CAS Name: 2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethanethioic acid S-pent-4-ynyl ester IUPAC Name: S-pent-4-ynyl 2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)ethanethioate Traditional Name: 2-(2-keto-3,4-dihydro-1H-quinolin-3-yl)ethanethioic acid S-pent-4-ynyl ester Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCSC(=O)CC1CC2=CC=CC=C2NC1=O

Isomeric SMILES

C#CCCCSC(=O)CC1CC2=CC=CC=C2NC1=O

InChI

InChI=1S/C16H17NO2S/c1-2-3-6-9-20-15(18)11-13-10-12-7-4-5-8-14(12)17-16(13)19/h1,4-5,7-8,13H,3,6,9-11H2,(H,17,19)