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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C21H17NO5S2 MolecularWeight: 427.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17NO5S2/c1-13-22-16(10-28-13)11-29-17-5-2-14(3-6-17)21(24)25-9-18(23)15-4-7-19-20(8-15)27-12-26-19/h2-8,10H,9,11-12H2,1H3