(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H20N4O4S/c26-19(24-11-5-6-12-24)13-30-18-10-4-2-8-16(18)21(28)29-14-25-20(27)15-7-1-3-9-17(15)22-23-25/h1-4,7-10H,5-6,11-14H2