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

Systemtic Name: tert-butyl 3-acetamido-4-[[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 3-acetamido-4-[[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]-4-oxo-butanoate CAS Name: 3-acetamido-4-[[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-[[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]-4-oxobutanoate Traditional Name: 3-acetamido-4-[[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid tert-butyl ester Formula: C23H31N3O6S2 MolecularWeight: 509.63874

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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)SCCC3OCCCO3

Isomeric SMILES

CC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3OCCCO3

InChI

InChI=1S/C23H31N3O6S2/c1-14(27)24-17(13-19(28)32-23(2,3)4)21(29)25-15-6-7-16-18(12-15)34-22(26-16)33-11-8-20-30-9-5-10-31-20/h6-7,12,17,20H,5,8-11,13H2,1-4H3,(H,24,27)(H,25,29)