1,3-benzothiazol-2-ylmethyl 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanoate CAS Name: 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate Traditional Name: 3-[2-keto-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H13N3O4S2 MolecularWeight: 387.43282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCN3C(=O)OC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCN3C(=O)OC(=N3)C4=CC=CS4

InChI

InChI=1S/C17H13N3O4S2/c21-15(23-10-14-18-11-4-1-2-5-12(11)26-14)7-8-20-17(22)24-16(19-20)13-6-3-9-25-13/h1-6,9H,7-8,10H2