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

Systemtic Name: tert-butyl 3-[[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 3-[[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]-3-oxo-propanoate CAS Name: 3-[[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]amino]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]-3-oxopropanoate Traditional Name: 3-keto-3-[[2-(o-anisylthio)-1,3-benzothiazol-6-yl]amino]propionic acid tert-butyl ester Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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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)SCC3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3OC

InChI

InChI=1S/C22H24N2O4S2/c1-22(2,3)28-20(26)12-19(25)23-15-9-10-16-18(11-15)30-21(24-16)29-13-14-7-5-6-8-17(14)27-4/h5-11H,12-13H2,1-4H3,(H,23,25)