4-[3-(2,6-dimethylphenyl)-3-oxidanylidene-prop-1-en-2-yl]-3-thiophen-2-yl-benzoic acid

Systemtic Name: 4-[3-(2,6-dimethylphenyl)-3-oxidanylidene-prop-1-en-2-yl]-3-thiophen-2-yl-benzoic acid Openeye Name: 4-[1-(2,6-dimethylbenzoyl)vinyl]-3-(2-thienyl)benzoic acid CAS Name: 4-[3-(2,6-dimethylphenyl)-3-oxoprop-1-en-2-yl]-3-thiophen-2-ylbenzoic acid IUPAC Name: 4-[3-(2,6-dimethylphenyl)-3-oxoprop-1-en-2-yl]-3-thiophen-2-ylbenzoic acid Traditional Name: 4-[1-(2,6-dimethylbenzoyl)vinyl]-3-(2-thienyl)benzoic acid Formula: C22H18O3S MolecularWeight: 362.44152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)C(=C)C2=C(C=C(C=C2)C(=O)O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)C(=C)C2=C(C=C(C=C2)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C22H18O3S/c1-13-6-4-7-14(2)20(13)21(23)15(3)17-10-9-16(22(24)25)12-18(17)19-8-5-11-26-19/h4-12H,3H2,1-2H3,(H,24,25)