1,3-benzothiazol-2-ylmethyl 3-[3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-(1,3-benzothiazol-2-ylmethylthio)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-(1,3-benzothiazol-2-ylmethylthio)-5-keto-2H-1,2,4-triazin-6-yl]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H17N5O3S3 MolecularWeight: 495.59708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCC3=NNC(=NC3=O)SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCC3=NNC(=NC3=O)SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17N5O3S3/c28-20(30-11-18-23-13-5-1-3-7-16(13)32-18)10-9-15-21(29)25-22(27-26-15)31-12-19-24-14-6-2-4-8-17(14)33-19/h1-8H,9-12H2,(H,25,27,29)