(E)-3-[4-(4-chloranyl-3,5-dimethyl-phenoxy)phenyl]-2-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (E)-3-[4-(4-chloranyl-3,5-dimethyl-phenoxy)phenyl]-2-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-3-[4-(4-chloro-3,5-dimethyl-phenoxy)phenyl]-2-(2-thienyl)prop-2-enoic acid CAS Name: (E)-3-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-3-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-3-[4-(4-chloro-3,5-dimethyl-phenoxy)phenyl]-2-(2-thienyl)acrylic acid Formula: C21H17ClO3S MolecularWeight: 384.87588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=CC=C(C=C2)C=C(C3=CC=CS3)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=CC=C(C=C2)/C=C(/C3=CC=CS3)\C(=O)O

InChI

InChI=1S/C21H17ClO3S/c1-13-10-17(11-14(2)20(13)22)25-16-7-5-15(6-8-16)12-18(21(23)24)19-4-3-9-26-19/h3-12H,1-2H3,(H,23,24)/b18-12-