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

Systemtic Name: tert-butyl 3-acetamido-4-[[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 3-acetamido-4-[[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]-4-oxo-butanoate CAS Name: 3-acetamido-4-[[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-[[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]-4-oxobutanoate Traditional Name: 3-acetamido-4-[[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid tert-butyl ester Formula: C23H32N4O5S2 MolecularWeight: 508.65398

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)C

InChI

InChI=1S/C23H32N4O5S2/c1-7-27(8-2)19(29)13-33-22-26-16-10-9-15(11-18(16)34-22)25-21(31)17(24-14(3)28)12-20(30)32-23(4,5)6/h9-11,17H,7-8,12-13H2,1-6H3,(H,24,28)(H,25,31)