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

Systemtic Name: tert-butyl 3-acetamido-4-[[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 3-acetamido-4-[[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]-4-oxo-butanoate CAS Name: 3-acetamido-4-[[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-[[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]-4-oxobutanoate Traditional Name: 3-acetamido-4-keto-4-[[2-(o-anisylthio)-1,3-benzothiazol-6-yl]amino]butyric acid tert-butyl ester Formula: C25H29N3O5S2 MolecularWeight: 515.64486

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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)SCC3=CC=CC=C3OC

Isomeric SMILES

CC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3OC

InChI

InChI=1S/C25H29N3O5S2/c1-15(29)26-19(13-22(30)33-25(2,3)4)23(31)27-17-10-11-18-21(12-17)35-24(28-18)34-14-16-8-6-7-9-20(16)32-5/h6-12,19H,13-14H2,1-5H3,(H,26,29)(H,27,31)