[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H17ClO5S MolecularWeight: 416.87468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl)OC

InChI

InChI=1S/C21H17ClO5S/c1-25-16-8-7-13(11-17(16)26-2)15(23)12-27-20(24)10-9-19-21(22)14-5-3-4-6-18(14)28-19/h3-11H,12H2,1-2H3/b10-9+