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

Systemtic Name: methyl 2-(7-methyl-6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)ethanoate Openeye Name: methyl 2-(7-methyl-6-sulfanyl-chroman-2-yl)acetate CAS Name: 2-(6-mercapto-7-methyl-3,4-dihydro-2H-1-benzopyran-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(7-methyl-6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)acetate Traditional Name: 2-(6-mercapto-7-methyl-chroman-2-yl)acetic acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CCC(OC2=C1)CC(=O)OC)S

Isomeric SMILES

CC1=C(C=C2CCC(OC2=C1)CC(=O)OC)S

InChI

InChI=1S/C13H16O3S/c1-8-5-11-9(6-12(8)17)3-4-10(16-11)7-13(14)15-2/h5-6,10,17H,3-4,7H2,1-2H3