S-heptyl 2-oxidanylidenechromene-3-carbothioate

Systemtic Name: S-heptyl 2-oxidanylidenechromene-3-carbothioate Openeye Name: S-heptyl 2-oxochromene-3-carbothioate CAS Name: 2-oxo-1-benzopyran-3-carbothioic acid S-heptyl ester IUPAC Name: S-heptyl 2-oxochromene-3-carbothioate Traditional Name: 2-ketochromene-3-carbothioic acid S-heptyl ester Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC(=O)C1=CC2=CC=CC=C2OC1=O

Isomeric SMILES

CCCCCCCSC(=O)C1=CC2=CC=CC=C2OC1=O

InChI

InChI=1S/C17H20O3S/c1-2-3-4-5-8-11-21-17(19)14-12-13-9-6-7-10-15(13)20-16(14)18/h6-7,9-10,12H,2-5,8,11H2,1H3