4-(carboxymethyl)-6-methyl-3,4-dihydro-2H-thiochromene-5-carboxylic acid

Systemtic Name: 4-(carboxymethyl)-6-methyl-3,4-dihydro-2H-thiochromene-5-carboxylic acid Openeye Name: 4-(carboxymethyl)-6-methyl-thiochromane-5-carboxylic acid CAS Name: 4-(carboxymethyl)-6-methyl-3,4-dihydro-2H-1-benzothiopyran-5-carboxylic acid IUPAC Name: 4-(carboxymethyl)-6-methyl-3,4-dihydro-2H-thiochromene-5-carboxylic acid Traditional Name: 4-(carboxymethyl)-6-methyl-thiochroman-5-carboxylic acid Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SCCC2CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)SCCC2CC(=O)O)C(=O)O

InChI

InChI=1S/C13H14O4S/c1-7-2-3-9-12(11(7)13(16)17)8(4-5-18-9)6-10(14)15/h2-3,8H,4-6H2,1H3,(H,14,15)(H,16,17)