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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H16N4O4S/c23-16-12-5-1-2-6-13(12)19-20-22(16)11-26-18(25)14-7-3-9-21(14)17(24)15-8-4-10-27-15/h1-2,4-6,8,10,14H,3,7,9,11H2