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

Systemtic Name: tert-butyl 3-[[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 3-[[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-3-oxo-propanoate CAS Name: 3-[[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]amino]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-3-oxopropanoate Traditional Name: 3-keto-3-[[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]amino]propionic acid tert-butyl ester Formula: C20H28N2O4S2 MolecularWeight: 424.57732

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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)SCCC(C)(C)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4S2/c1-19(2,3)26-17(24)12-16(23)21-13-7-8-14-15(11-13)28-18(22-14)27-10-9-20(4,5)25-6/h7-8,11H,9-10,12H2,1-6H3,(H,21,23)