methyl 4-[2-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-oxoethyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[[2-(piperonyloylamino)acetyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C19H16N4O6S MolecularWeight: 428.41854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16N4O6S/c1-27-18(26)12-4-11(6-20-12)13-8-30-19(22-13)23-16(24)7-21-17(25)10-2-3-14-15(5-10)29-9-28-14/h2-6,8,20H,7,9H2,1H3,(H,21,25)(H,22,23,24)