(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H19N5O3S/c1-11(2)7-8-18-17-19-14(9-26-17)16(24)25-10-22-15(23)12-5-3-4-6-13(12)20-21-22/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,19)