2-[7-(4-methylphenyl)carbothioyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[7-(4-methylphenyl)carbothioyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[7-(4-methylbenzenecarbothioyl)-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[7-[(4-methylphenyl)-sulfanylidenemethyl]-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[7-(4-methylbenzenecarbothioyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[7-(4-methylthiobenzoyl)coumaran-5-yl]acetic acid Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=CC(=CC3=C2OCC3)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=CC(=CC3=C2OCC3)CC(=O)O

InChI

InChI=1S/C18H16O3S/c1-11-2-4-13(5-3-11)18(22)15-9-12(10-16(19)20)8-14-6-7-21-17(14)15/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)