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

Systemtic Name: tert-butyl 3-acetamido-4-[[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 3-acetamido-4-[[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-4-oxo-butanoate CAS Name: 3-acetamido-4-[[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-[[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-4-oxobutanoate Traditional Name: 3-acetamido-4-keto-4-[[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]amino]butyric acid tert-butyl ester Formula: C23H33N3O5S2 MolecularWeight: 495.65522

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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)SCCC(C)(C)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O5S2/c1-14(27)24-17(13-19(28)31-22(2,3)4)20(29)25-15-8-9-16-18(12-15)33-21(26-16)32-11-10-23(5,6)30-7/h8-9,12,17H,10-11,13H2,1-7H3,(H,24,27)(H,25,29)