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

Systemtic Name: tert-butyl 3-acetamido-4-[[2-(2-acetyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 3-acetamido-4-[[2-(2-acetoxyethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-4-oxo-butanoate CAS Name: 3-acetamido-4-[[2-(2-acetyloxyethylthio)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-[[2-(2-acetyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoate Traditional Name: 3-acetamido-4-[[2-(2-acetoxyethylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid tert-butyl ester Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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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)SCCOC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S2/c1-12(25)22-16(11-18(27)30-21(3,4)5)19(28)23-14-6-7-15-17(10-14)32-20(24-15)31-9-8-29-13(2)26/h6-7,10,16H,8-9,11H2,1-5H3,(H,22,25)(H,23,28)