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

Systemtic Name: tert-butyl 3-oxidanylidene-3-[[2-[2-(prop-2-enoxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]propanoate Openeye Name: tert-butyl 3-[[2-[2-(allyloxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]-3-oxo-propanoate CAS Name: 3-oxo-3-[[2-[2-[[oxo(prop-2-enoxy)methyl]amino]ethylthio]-1,3-benzothiazol-6-yl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-3-[[2-[2-(prop-2-enoxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]propanoate Traditional Name: 3-[[2-[2-(allyloxycarbonylamino)ethylthio]-1,3-benzothiazol-6-yl]amino]-3-keto-propionic acid tert-butyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S2/c1-5-9-27-18(26)21-8-10-29-19-23-14-7-6-13(11-15(14)30-19)22-16(24)12-17(25)28-20(2,3)4/h5-7,11H,1,8-10,12H2,2-4H3,(H,21,26)(H,22,24)