[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-ethylphenyl)-4-methyl-5-thiazolecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H19NO5S/c1-3-14-4-6-15(7-5-14)21-23-13(2)20(29-21)22(25)26-11-17(24)16-8-9-18-19(10-16)28-12-27-18/h4-10H,3,11-12H2,1-2H3