[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methoxy]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methoxy]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C20H21N3O4S/c1-14-22-16(12-28-14)10-26-17-6-4-15(5-7-17)19(25)27-11-18(24)23-20(13-21)8-2-3-9-20/h4-7,12H,2-3,8-11H2,1H3,(H,23,24)