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

Systemtic Name: tert-butyl 3-acetamido-4-[[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 3-acetamido-4-[[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-4-oxo-butanoate CAS Name: 3-acetamido-4-[[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-[[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoate Traditional Name: 3-acetamido-4-[[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid tert-butyl ester Formula: C24H26N6O4S2 MolecularWeight: 526.63104

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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)SCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C24H26N6O4S2/c1-14(31)25-18(12-21(32)34-24(2,3)4)22(33)26-15-9-10-17-20(11-15)36-23(27-17)35-13-30-19-8-6-5-7-16(19)28-29-30/h5-11,18H,12-13H2,1-4H3,(H,25,31)(H,26,33)