4-[(E)-3-(3,4-dimethyl-5-thiophen-2-yl-phenyl)prop-2-enoyl]benzoic acid

Systemtic Name: 4-[(E)-3-(3,4-dimethyl-5-thiophen-2-yl-phenyl)prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-[3,4-dimethyl-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-(3,4-dimethyl-5-thiophen-2-ylphenyl)-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(3,4-dimethyl-5-thiophen-2-ylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[3,4-dimethyl-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C22H18O3S MolecularWeight: 362.44152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18O3S/c1-14-12-16(13-19(15(14)2)21-4-3-11-26-21)5-10-20(23)17-6-8-18(9-7-17)22(24)25/h3-13H,1-2H3,(H,24,25)/b10-5+