[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[[4-(4-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C19H13BrN2O5S MolecularWeight: 461.28592

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H13BrN2O5S/c20-13-4-1-11(2-5-13)14-9-28-19(21-14)22-17(23)8-25-18(24)12-3-6-15-16(7-12)27-10-26-15/h1-7,9H,8,10H2,(H,21,22,23)