methyl 4-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoate Openeye Name: methyl 4-[(E)-3-[5-(benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoate CAS Name: 4-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]-1-oxoprop-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzoate Traditional Name: 4-[(E)-3-[5-(benzothiophen-2-yl)-2,4-dimethoxy-phenyl]acryloyl]benzoic acid methyl ester Formula: C27H22O5S MolecularWeight: 458.52558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)C=CC(=O)C4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)/C=C/C(=O)C4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C27H22O5S/c1-30-23-16-24(31-2)21(26-15-20-6-4-5-7-25(20)33-26)14-19(23)12-13-22(28)17-8-10-18(11-9-17)27(29)32-3/h4-16H,1-3H3/b13-12+