(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OC(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OC(C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S/c1-13(19(24)22-15-8-4-3-5-9-15)26-20(25)16-10-6-7-11-17(16)28-12-18-21-14(2)23-27-18/h3-11,13H,12H2,1-2H3,(H,22,24)