diethyl 5-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[3-(1,3-benzothiazol-2-yl)-1-oxopropoxy]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O6S/c1-4-28-21(26)19-13(3)20(22(27)29-5-2)24-15(19)12-30-18(25)11-10-17-23-14-8-6-7-9-16(14)31-17/h6-9,24H,4-5,10-12H2,1-3H3