O2-(1,3-benzothiazol-2-ylmethyl) O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-(1,3-benzothiazol-2-ylmethyl) O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-(1,3-benzothiazol-2-ylmethyl) O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-(1,3-benzothiazol-2-ylmethyl) ester O4-ethyl ester IUPAC Name: 2-O-(1,3-benzothiazol-2-ylmethyl) 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-(1,3-benzothiazol-2-ylmethyl) ester O4-ethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H18N2O4S/c1-4-23-17(21)15-10(2)16(19-11(15)3)18(22)24-9-14-20-12-7-5-6-8-13(12)25-14/h5-8,19H,4,9H2,1-3H3