[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(4-acetyloxyphenyl)benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(4-acetyloxyphenyl)benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C21H15ClO5S MolecularWeight: 414.8588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H15ClO5S/c1-13(23)27-17-8-6-15(7-9-17)14-2-4-16(5-3-14)21(25)26-12-18(24)19-10-11-20(22)28-19/h2-11H,12H2,1H3