2-[3-(4-methylphenyl)-3-oxidanylidene-1-thiophen-2-yl-propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)-3-oxidanylidene-1-thiophen-2-yl-propyl]sulfanylethanoic acid Openeye Name: 2-[3-oxo-3-(p-tolyl)-1-(2-thienyl)propyl]sulfanylacetic acid CAS Name: 2-[[3-(4-methylphenyl)-3-oxo-1-thiophen-2-ylpropyl]thio]acetic acid IUPAC Name: 2-[3-(4-methylphenyl)-3-oxo-1-thiophen-2-ylpropyl]sulfanylacetic acid Traditional Name: 2-[[3-keto-3-(p-tolyl)-1-(2-thienyl)propyl]thio]acetic acid Formula: C16H16O3S2 MolecularWeight: 320.42644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2=CC=CS2)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C2=CC=CS2)SCC(=O)O

InChI

InChI=1S/C16H16O3S2/c1-11-4-6-12(7-5-11)13(17)9-15(21-10-16(18)19)14-3-2-8-20-14/h2-8,15H,9-10H2,1H3,(H,18,19)