[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[2-cyanoethyl(2-furylmethyl)amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[2-cyanoethyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[2-cyanoethyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(CCC#N)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

C1=COC(=C1)CN(CCC#N)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C18H15N3O4S/c19-6-2-7-21(10-14-3-1-8-24-14)17(22)11-25-18(23)13-4-5-15-16(9-13)26-12-20-15/h1,3-5,8-9,12H,2,7,10-11H2