tert-butyl 3-acetamido-4-oxidanylidene-4-[[2-[2-(prop-2-enoxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]butanoate

Systemtic Name: tert-butyl 3-acetamido-4-oxidanylidene-4-[[2-[2-(prop-2-enoxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]butanoate Openeye Name: tert-butyl 3-acetamido-4-[[2-[2-(allyloxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]-4-oxo-butanoate CAS Name: 3-acetamido-4-oxo-4-[[2-[2-[[oxo(prop-2-enoxy)methyl]amino]ethylthio]-1,3-benzothiazol-6-yl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-oxo-4-[[2-[2-(prop-2-enoxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]butanoate Traditional Name: 3-acetamido-4-[[2-[2-(allyloxycarbonylamino)ethylthio]-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid tert-butyl ester Formula: C23H30N4O6S2 MolecularWeight: 522.6375

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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)SCCNC(=O)OCC=C

Isomeric SMILES

CC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCNC(=O)OCC=C

InChI

InChI=1S/C23H30N4O6S2/c1-6-10-32-21(31)24-9-11-34-22-27-16-8-7-15(12-18(16)35-22)26-20(30)17(25-14(2)28)13-19(29)33-23(3,4)5/h6-8,12,17H,1,9-11,13H2,2-5H3,(H,24,31)(H,25,28)(H,26,30)