[2-oxidanylidene-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-[(3-isopropylisoxazol-5-yl)amino]-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-oxo-2-[(3-propan-2-yl-5-isoxazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[(3-isopropylisoxazol-5-yl)amino]-2-keto-ethyl] ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)C1=NOC(=C1)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C22H19N3O4S/c1-14(2)17-11-21(29-25-17)24-20(26)13-28-22(27)16-8-4-6-10-19(16)30-18-9-5-3-7-15(18)12-23/h3-11,14H,13H2,1-2H3,(H,24,26)