(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-thiophen-2-ylbutanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-thiophen-2-ylbutanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C16H15N3O3S/c20-15(9-3-5-12-6-4-10-23-12)22-11-19-16(21)13-7-1-2-8-14(13)17-18-19/h1-2,4,6-8,10H,3,5,9,11H2