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

Systemtic Name: tert-butyl 3-acetamido-4-[[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 3-acetamido-4-[[2-(2-methoxy-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-4-oxo-butanoate CAS Name: 3-acetamido-4-[[2-[(2-methoxy-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-[[2-(2-methoxy-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-4-oxobutanoate Traditional Name: 3-acetamido-4-keto-4-[[2-[(2-keto-2-methoxy-ethyl)thio]-1,3-benzothiazol-6-yl]amino]butyric acid tert-butyl ester Formula: C20H25N3O6S2 MolecularWeight: 467.559

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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)SCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S2/c1-11(24)21-14(9-16(25)29-20(2,3)4)18(27)22-12-6-7-13-15(8-12)31-19(23-13)30-10-17(26)28-5/h6-8,14H,9-10H2,1-5H3,(H,21,24)(H,22,27)