[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,3-thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,3-thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[2-(benzylamino)-2-oxo-ethyl]thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[2-oxo-2-[(phenylmethyl)amino]ethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-[2-(benzylamino)-2-keto-ethyl]thiazol-4-yl]methyl ester Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)CC(=O)NCC4=CC=CC=C4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)CC(=O)NCC4=CC=CC=C4)N=N1

InChI

InChI=1S/C22H21N5O3S/c1-2-27-19-9-8-16(10-18(19)25-26-27)22(29)30-13-17-14-31-21(24-17)11-20(28)23-12-15-6-4-3-5-7-15/h3-10,14H,2,11-13H2,1H3,(H,23,28)