[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C18H19ClO6S MolecularWeight: 398.85786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C18H19ClO6S/c1-22-13-8-11(9-14(23-2)18(13)24-3)4-7-17(21)25-10-12(20)15-5-6-16(19)26-15/h5-6,8-9H,4,7,10H2,1-3H3