(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C18H15N3O4S/c19-15(22)11-26-14-9-5-4-8-13(14)18(23)24-10-16-20-17(21-25-16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,19,22)