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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [3-(3-thienyl)-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-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-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-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)SCC(=O)N

InChI

InChI=1S/C16H13N3O4S2/c17-13(20)9-25-12-4-2-1-3-11(12)16(21)22-7-14-18-15(19-23-14)10-5-6-24-8-10/h1-6,8H,7,9H2,(H2,17,20)