[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(2-furfuryl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H18N4O4S/c1-12-9-15(13(2)24(12)10-14-5-4-8-27-14)20(26)28-11-18(25)21-16-6-3-7-17-19(16)23-29-22-17/h3-9H,10-11H2,1-2H3,(H,21,25)