[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C18H15ClO5S MolecularWeight: 378.8267

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClO5S/c19-13-2-4-14(5-3-13)25-8-7-18(21)22-10-15(20)12-1-6-16-17(9-12)24-11-23-16/h1-6,9H,7-8,10-11H2