[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H18N4O3S/c26-20(22-12-17-4-3-11-29-17)14-28-21(27)16-9-7-15(8-10-16)13-25-19-6-2-1-5-18(19)23-24-25/h1-11H,12-14H2,(H,22,26)