dimethyl 3-methyl-5-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(=O)OC

InChI

InChI=1S/C17H16N2O7S/c1-9-13(16(21)25-2)11(18-14(9)17(22)26-3)8-19-15(20)10-6-4-5-7-12(10)27(19,23)24/h4-7,18H,8H2,1-3H3