tert-butyl 3-acetamido-4-oxidanylidene-4-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]butanoate

Systemtic Name: tert-butyl 3-acetamido-4-oxidanylidene-4-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]butanoate Openeye Name: tert-butyl 3-acetamido-4-oxo-4-[[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]butanoate CAS Name: 3-acetamido-4-oxo-4-[[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-oxo-4-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]butanoate Traditional Name: 3-acetamido-4-keto-4-[[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]amino]butyric acid tert-butyl ester Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CN=CC=C3

Isomeric SMILES

CC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CN=CC=C3

InChI

InChI=1S/C23H26N4O4S2/c1-14(28)25-18(11-20(29)31-23(2,3)4)21(30)26-16-7-8-17-19(10-16)33-22(27-17)32-13-15-6-5-9-24-12-15/h5-10,12,18H,11,13H2,1-4H3,(H,25,28)(H,26,30)