S-(4-sulfanylbutyl) 2-oxidanylidenechromene-3-carbothioate

Systemtic Name: S-(4-sulfanylbutyl) 2-oxidanylidenechromene-3-carbothioate Openeye Name: S-(4-sulfanylbutyl) 2-oxochromene-3-carbothioate CAS Name: 2-oxo-1-benzopyran-3-carbothioic acid S-(4-mercaptobutyl) ester IUPAC Name: S-(4-sulfanylbutyl) 2-oxochromene-3-carbothioate Traditional Name: 2-ketochromene-3-carbothioic acid S-(4-mercaptobutyl) ester Formula: C14H14O3S2 MolecularWeight: 294.38916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)SCCCCS

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)SCCCCS

InChI

InChI=1S/C14H14O3S2/c15-13-11(14(16)19-8-4-3-7-18)9-10-5-1-2-6-12(10)17-13/h1-2,5-6,9,18H,3-4,7-8H2