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

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H20N4O3S/c1-15(21(27)23-13-18-5-4-12-30-18)29-22(28)17-10-8-16(9-11-17)14-26-20-7-3-2-6-19(20)24-25-26/h2-12,15H,13-14H2,1H3,(H,23,27)