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

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-ylcarbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-(1,3-benzodioxole-5-carbonylamino)thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(piperonyloylamino)thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O5S/c1-23-16(22)11-4-10(6-18-11)12-7-26-17(19-12)20-15(21)9-2-3-13-14(5-9)25-8-24-13/h2-7,18H,8H2,1H3,(H,19,20,21)