(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H14N4O3S2 MolecularWeight: 398.45876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N4O3S2/c23-16(9-10-26-18-19-14-7-3-4-8-15(14)27-18)25-11-22-17(24)12-5-1-2-6-13(12)20-21-22/h1-8H,9-11H2