2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 1-methylpyrrole-2-carboxylate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 1-methylpyrrole-2-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CN1C=CC=C1C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C15H14N2O5S/c1-16-8-4-6-12(16)15(19)22-10-9-17-14(18)11-5-2-3-7-13(11)23(17,20)21/h2-8H,9-10H2,1H3