4-(2-methoxyphenyl)-1H-isothiochromene-3-carboxylic acid

Systemtic Name: 4-(2-methoxyphenyl)-1H-isothiochromene-3-carboxylic acid Openeye Name: 4-(2-methoxyphenyl)-1H-isothiochromene-3-carboxylic acid CAS Name: 4-(2-methoxyphenyl)-1H-2-benzothiopyran-3-carboxylic acid IUPAC Name: 4-(2-methoxyphenyl)-1H-isothiochromene-3-carboxylic acid Traditional Name: 4-(2-methoxyphenyl)-1H-isothiochromene-3-carboxylic acid Formula: C17H14O3S MolecularWeight: 298.35626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(SCC3=CC=CC=C32)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2=C(SCC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H14O3S/c1-20-14-9-5-4-8-13(14)15-12-7-3-2-6-11(12)10-21-16(15)17(18)19/h2-9H,10H2,1H3,(H,18,19)