4-[3-(2-chloranyl-6-methyl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]-3-thiophen-2-yl-benzoic acid

Systemtic Name: 4-[3-(2-chloranyl-6-methyl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]-3-thiophen-2-yl-benzoic acid Openeye Name: 4-[1-(2-chloro-6-methyl-benzoyl)vinyl]-3-(2-thienyl)benzoic acid CAS Name: 4-[3-(2-chloro-6-methylphenyl)-3-oxoprop-1-en-2-yl]-3-thiophen-2-ylbenzoic acid IUPAC Name: 4-[3-(2-chloro-6-methylphenyl)-3-oxoprop-1-en-2-yl]-3-thiophen-2-ylbenzoic acid Traditional Name: 4-[1-(2-chloro-6-methyl-benzoyl)vinyl]-3-(2-thienyl)benzoic acid Formula: C21H15ClO3S MolecularWeight: 382.86

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClO3S/c1-12-5-3-6-17(22)19(12)20(23)13(2)15-9-8-14(21(24)25)11-16(15)18-7-4-10-26-18/h3-11H,2H2,1H3,(H,24,25)