ethyl 4-[2-(benzotriazol-1-yl)ethanoyl-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]amino]benzoate

Systemtic Name: ethyl 4-[2-(benzotriazol-1-yl)ethanoyl-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]amino]benzoate Openeye Name: ethyl 4-[[2-(benzotriazol-1-yl)acetyl]-[2-(1,1-dimethylpropylamino)-2-oxo-1-(2-thienyl)ethyl]amino]benzoate CAS Name: 4-[[2-(1-benzotriazolyl)-1-oxoethyl]-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(benzotriazol-1-yl)acetyl]-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]amino]benzoate Traditional Name: 4-[[2-(tert-amylamino)-2-keto-1-(2-thienyl)ethyl]-[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C28H31N5O4S MolecularWeight: 533.64184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C(C1=CC=CS1)N(C2=CC=C(C=C2)C(=O)OCC)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCC(C)(C)NC(=O)C(C1=CC=CS1)N(C2=CC=C(C=C2)C(=O)OCC)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C28H31N5O4S/c1-5-28(3,4)29-26(35)25(23-12-9-17-38-23)33(20-15-13-19(14-16-20)27(36)37-6-2)24(34)18-32-22-11-8-7-10-21(22)30-31-32/h7-17,25H,5-6,18H2,1-4H3,(H,29,35)