[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H17N5O3S/c24-15(20-13-6-3-7-14-16(13)22-27-21-14)11-26-18(25)12-5-4-8-19-17(12)23-9-1-2-10-23/h3-8H,1-2,9-11H2,(H,20,24)