methyl 2-(4-oxidanylidene-6-sulfanyl-2,3-dihydrochromen-3-yl)ethanoate

Systemtic Name: methyl 2-(4-oxidanylidene-6-sulfanyl-2,3-dihydrochromen-3-yl)ethanoate Openeye Name: methyl 2-(4-oxo-6-sulfanyl-chroman-3-yl)acetate CAS Name: 2-(6-mercapto-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(4-oxo-6-sulfanyl-2,3-dihydrochromen-3-yl)acetate Traditional Name: 2-(4-keto-6-mercapto-chroman-3-yl)acetic acid methyl ester Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1COC2=C(C1=O)C=C(C=C2)S

Isomeric SMILES

COC(=O)CC1COC2=C(C1=O)C=C(C=C2)S

InChI

InChI=1S/C12H12O4S/c1-15-11(13)4-7-6-16-10-3-2-8(17)5-9(10)12(7)14/h2-3,5,7,17H,4,6H2,1H3