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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H17N3O4S/c1-14-9-17(24-28-14)12-27-21(26)18-7-2-3-8-19(18)29-13-20(25)23-16-6-4-5-15(10-16)11-22/h2-10H,12-13H2,1H3,(H,23,25)