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

Systemtic Name: [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O5S/c1-2-13-3-5-14(6-4-13)16-11-29-21(22-16)23-19(24)10-26-20(25)15-7-8-17-18(9-15)28-12-27-17/h3-9,11H,2,10,12H2,1H3,(H,22,23,24)