2-(7-methoxy-6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)ethanoic acid

Systemtic Name: 2-(7-methoxy-6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)ethanoic acid Openeye Name: 2-(7-methoxy-6-sulfanyl-chroman-2-yl)acetic acid CAS Name: 2-(6-mercapto-7-methoxy-3,4-dihydro-2H-1-benzopyran-2-yl)acetic acid IUPAC Name: 2-(7-methoxy-6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)acetic acid Traditional Name: 2-(6-mercapto-7-methoxy-chroman-2-yl)acetic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-15-10-6-9-7(4-11(10)17)2-3-8(16-9)5-12(13)14/h4,6,8,17H,2-3,5H2,1H3,(H,13,14)