tert-butyl 2-(1,3-benzothiazol-2-ylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate

Systemtic Name: tert-butyl 2-(1,3-benzothiazol-2-ylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate Openeye Name: tert-butyl 2-(1,3-benzothiazol-2-ylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1,3-benzothiazol-2-ylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid tert-butyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H27N3O4S/c1-23(2,3)30-20(27)18(25-21-24-17-8-6-7-9-19(17)31-21)14-15-10-12-16(13-11-15)29-22(28)26(4)5/h6-13,18H,14H2,1-5H3,(H,24,25)