S-(3-butanoylsulfanylquinoxalin-2-yl) butanethioate

Systemtic Name: S-(3-butanoylsulfanylquinoxalin-2-yl) butanethioate Openeye Name: S-(3-butanoylsulfanylquinoxalin-2-yl) butanethioate CAS Name: butanethioic acid S-[3-(1-oxobutylthio)-2-quinoxalinyl] ester IUPAC Name: S-(3-butanoylsulfanylquinoxalin-2-yl) butanethioate Traditional Name: butanethioic acid S-[3-(butyrylthio)quinoxalin-2-yl] ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SC1=NC2=CC=CC=C2N=C1SC(=O)CCC

Isomeric SMILES

CCCC(=O)SC1=NC2=CC=CC=C2N=C1SC(=O)CCC

InChI

InChI=1S/C16H18N2O2S2/c1-3-7-13(19)21-15-16(22-14(20)8-4-2)18-12-10-6-5-9-11(12)17-15/h5-6,9-10H,3-4,7-8H2,1-2H3