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

Systemtic Name: 2-[7-(4-methylphenyl)carbothioyl-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid Openeye Name: 2-[7-(4-methylbenzenecarbothioyl)-2,3-dihydrobenzothiophen-5-yl]propanoic acid CAS Name: 2-[7-[(4-methylphenyl)-sulfanylidenemethyl]-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid IUPAC Name: 2-[7-(4-methylbenzenecarbothioyl)-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid Traditional Name: 2-[7-(4-methylthiobenzoyl)-2,3-dihydrobenzothiophen-5-yl]propionic acid Formula: C19H18O2S2 MolecularWeight: 342.47502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=CC(=CC3=C2SCC3)C(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=CC(=CC3=C2SCC3)C(C)C(=O)O

InChI

InChI=1S/C19H18O2S2/c1-11-3-5-13(6-4-11)17(22)16-10-15(12(2)19(20)21)9-14-7-8-23-18(14)16/h3-6,9-10,12H,7-8H2,1-2H3,(H,20,21)