diethyl 5-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enoxy]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H22N2O6S/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/h6-11,24H,4-5,12H2,1-3H3/b11-10+