2-[7-(4-methylphenyl)carbothioyl-1-benzothiophen-5-yl]ethanoic acid

Systemtic Name: 2-[7-(4-methylphenyl)carbothioyl-1-benzothiophen-5-yl]ethanoic acid Openeye Name: 2-[7-(4-methylbenzenecarbothioyl)benzothiophen-5-yl]acetic acid CAS Name: 2-[7-[(4-methylphenyl)-sulfanylidenemethyl]-1-benzothiophen-5-yl]acetic acid IUPAC Name: 2-[7-(4-methylbenzenecarbothioyl)-1-benzothiophen-5-yl]acetic acid Traditional Name: 2-[7-(4-methylthiobenzoyl)benzothiophen-5-yl]acetic acid Formula: C18H14O2S2 MolecularWeight: 326.43256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C3C(=CC(=C2)CC(=O)O)C=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C3C(=CC(=C2)CC(=O)O)C=CS3

InChI

InChI=1S/C18H14O2S2/c1-11-2-4-13(5-3-11)17(21)15-9-12(10-16(19)20)8-14-6-7-22-18(14)15/h2-9H,10H2,1H3,(H,19,20)