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

Systemtic Name: tert-butyl 3-[[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 3-[[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-3-oxo-propanoate CAS Name: 3-[[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]amino]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-3-oxopropanoate Traditional Name: 3-keto-3-[[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]amino]propionic acid tert-butyl ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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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)SCOCCOC

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCOCCOC

InChI

InChI=1S/C18H24N2O5S2/c1-18(2,3)25-16(22)10-15(21)19-12-5-6-13-14(9-12)27-17(20-13)26-11-24-8-7-23-4/h5-6,9H,7-8,10-11H2,1-4H3,(H,19,21)