[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H17NO5S2 MolecularWeight: 415.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17NO5S2/c22-16(13-5-6-17-18(9-13)26-12-25-17)10-24-19(23)15-4-2-1-3-14(15)11-28-20-21-7-8-27-20/h1-6,9H,7-8,10-12H2