(E)-3-(4-chloranyl-5,6-dimethoxy-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-chloranyl-5,6-dimethoxy-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)prop-2-enoic acid Openeye Name: (E)-3-(4-chloro-5,6-dimethoxy-benzothiophen-2-yl)-2-(4-isopropylphenyl)prop-2-enoic acid CAS Name: (E)-3-(4-chloro-5,6-dimethoxy-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)-2-propenoic acid IUPAC Name: (E)-3-(4-chloro-5,6-dimethoxy-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(4-chloro-5,6-dimethoxy-benzothiophen-2-yl)-2-p-cumenyl-acrylic acid Formula: C22H21ClO4S MolecularWeight: 416.91774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=CC2=CC3=C(S2)C=C(C(=C3Cl)OC)OC)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C(=C\C2=CC3=C(S2)C=C(C(=C3Cl)OC)OC)/C(=O)O

InChI

InChI=1S/C22H21ClO4S/c1-12(2)13-5-7-14(8-6-13)16(22(24)25)9-15-10-17-19(28-15)11-18(26-3)21(27-4)20(17)23/h5-12H,1-4H3,(H,24,25)/b16-9+