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

Systemtic Name: O2-(1,3-benzothiazol-2-ylmethyl) O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-(1,3-benzothiazol-2-ylmethyl) O4-methyl 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-methyl ester IUPAC Name: 2-O-(1,3-benzothiazol-2-ylmethyl) 4-O-methyl 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-methyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16N2O4S/c1-9-14(16(20)22-3)10(2)18-15(9)17(21)23-8-13-19-11-6-4-5-7-12(11)24-13/h4-7,18H,8H2,1-3H3