[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N3O3S2/c24-15-23(11-3-4-12-23)26-20(27)13-29-21(28)17-9-7-16(8-10-17)14-30-22-25-18-5-1-2-6-19(18)31-22/h1-2,5-10H,3-4,11-14H2,(H,26,27)