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

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H17ClO3S MolecularWeight: 384.87588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C21H17ClO3S/c1-13-7-8-15(14(2)11-13)17(23)12-25-20(24)10-9-19-21(22)16-5-3-4-6-18(16)26-19/h3-11H,12H2,1-2H3/b10-9+