methyl 2-(7-methoxy-6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)ethanoate

Systemtic Name: methyl 2-(7-methoxy-6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)ethanoate Openeye Name: methyl 2-(7-methoxy-6-sulfanyl-chroman-2-yl)acetate CAS Name: 2-(6-mercapto-7-methoxy-3,4-dihydro-2H-1-benzopyran-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(7-methoxy-6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)acetate Traditional Name: 2-(6-mercapto-7-methoxy-chroman-2-yl)acetic acid methyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCC(OC2=C1)CC(=O)OC)S

Isomeric SMILES

COC1=C(C=C2CCC(OC2=C1)CC(=O)OC)S

InChI

InChI=1S/C13H16O4S/c1-15-11-7-10-8(5-12(11)18)3-4-9(17-10)6-13(14)16-2/h5,7,9,18H,3-4,6H2,1-2H3