[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxo-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=C(OC(=C3C#N)N4C=CC=C4)C

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=C(OC(=C3C#N)N4C=CC=C4)C

InChI

InChI=1S/C22H18N4O4S/c1-3-26(22-24-16-8-4-5-9-17(16)31-22)18(27)13-29-21(28)19-14(2)30-20(15(19)12-23)25-10-6-7-11-25/h4-11H,3,13H2,1-2H3