tert-butyl 3-oxidanylidene-3-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]propanoate

Systemtic Name: tert-butyl 3-oxidanylidene-3-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]propanoate Openeye Name: tert-butyl 3-[[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-3-oxo-propanoate CAS Name: 3-oxo-3-[[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-3-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]propanoate Traditional Name: 3-[[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]amino]-3-keto-propionic acid tert-butyl ester Formula: C19H26N2O3S3 MolecularWeight: 426.61634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C19H26N2O3S3/c1-12(2)25-8-9-26-18-21-14-7-6-13(10-15(14)27-18)20-16(22)11-17(23)24-19(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,22)