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

Systemtic Name: tert-butyl 3-oxidanylidene-3-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]propanoate Openeye Name: tert-butyl 3-oxo-3-[[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]propanoate CAS Name: 3-oxo-3-[[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-3-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]propanoate Traditional Name: 3-keto-3-[[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]amino]propionic acid tert-butyl ester Formula: C20H22N2O3S3 MolecularWeight: 434.59528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3

InChI

InChI=1S/C20H22N2O3S3/c1-20(2,3)25-18(24)11-17(23)21-14-4-5-15-16(10-14)28-19(22-15)27-9-7-13-6-8-26-12-13/h4-6,8,10,12H,7,9,11H2,1-3H3,(H,21,23)