methyl 2-[(6-methyl-8-sulfanyl-3,4-dihydro-2H-chromen-5-yl)oxy]ethanoate

Systemtic Name: methyl 2-[(6-methyl-8-sulfanyl-3,4-dihydro-2H-chromen-5-yl)oxy]ethanoate Openeye Name: methyl 2-(6-methyl-8-sulfanyl-chroman-5-yl)oxyacetate CAS Name: 2-[(8-mercapto-6-methyl-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]acetic acid methyl ester IUPAC Name: methyl 2-[(6-methyl-8-sulfanyl-3,4-dihydro-2H-chromen-5-yl)oxy]acetate Traditional Name: 2-(8-mercapto-6-methyl-chroman-5-yl)oxyacetic acid methyl ester Formula: C13H16O4S MolecularWeight: 268.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1OCC(=O)OC)CCCO2)S

Isomeric SMILES

CC1=CC(=C2C(=C1OCC(=O)OC)CCCO2)S

InChI

InChI=1S/C13H16O4S/c1-8-6-10(18)13-9(4-3-5-16-13)12(8)17-7-11(14)15-2/h6,18H,3-5,7H2,1-2H3