4-ethoxy-8-methyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid

Systemtic Name: 4-ethoxy-8-methyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid Openeye Name: 4-ethoxy-8-methyl-thiochromane-7-carboxylic acid CAS Name: 4-ethoxy-8-methyl-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid IUPAC Name: 4-ethoxy-8-methyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid Traditional Name: 4-ethoxy-8-methyl-thiochroman-7-carboxylic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCSC2=C1C=CC(=C2C)C(=O)O

Isomeric SMILES

CCOC1CCSC2=C1C=CC(=C2C)C(=O)O

InChI

InChI=1S/C13H16O3S/c1-3-16-11-6-7-17-12-8(2)9(13(14)15)4-5-10(11)12/h4-5,11H,3,6-7H2,1-2H3,(H,14,15)