methyl 2-[2-(benzotriazol-1-yl)ethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[2-(benzotriazol-1-yl)ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]thiazole-5-carboxylate CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H11N5O3S/c1-21-12(20)10-6-14-13(22-10)15-11(19)7-18-9-5-3-2-4-8(9)16-17-18/h2-6H,7H2,1H3,(H,14,15,19)