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

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 1H-pyrrole-2-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic 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 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=CC=CN3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=CC=CN3

InChI

InChI=1S/C14H12N2O5S/c17-13-10-4-1-2-6-12(10)22(19,20)16(13)8-9-21-14(18)11-5-3-7-15-11/h1-7,15H,8-9H2