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

Systemtic Name: tert-butyl 3-[[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 3-[[2-(2-methoxy-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-3-oxo-propanoate CAS Name: 3-[[2-[(2-methoxy-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]amino]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(2-methoxy-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-3-oxopropanoate Traditional Name: 3-keto-3-[[2-[(2-keto-2-methoxy-ethyl)thio]-1,3-benzothiazol-6-yl]amino]propionic acid tert-butyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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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)SCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S2/c1-17(2,3)24-14(21)8-13(20)18-10-5-6-11-12(7-10)26-16(19-11)25-9-15(22)23-4/h5-7H,8-9H2,1-4H3,(H,18,20)