tert-butyl 3-[[6-(3-methoxy-4-oxidanyl-phenyl)-1,3-benzothiazol-2-yl]carbamoylamino]propanoate

Systemtic Name: tert-butyl 3-[[6-(3-methoxy-4-oxidanyl-phenyl)-1,3-benzothiazol-2-yl]carbamoylamino]propanoate Openeye Name: tert-butyl 3-[[6-(4-hydroxy-3-methoxy-phenyl)-1,3-benzothiazol-2-yl]carbamoylamino]propanoate CAS Name: 3-[[[[6-(4-hydroxy-3-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[6-(4-hydroxy-3-methoxyphenyl)-1,3-benzothiazol-2-yl]carbamoylamino]propanoate Traditional Name: 3-[[6-(4-hydroxy-3-methoxy-phenyl)-1,3-benzothiazol-2-yl]carbamoylamino]propionic acid tert-butyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=C(C=C3)O)OC

Isomeric SMILES

CC(C)(C)OC(=O)CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C22H25N3O5S/c1-22(2,3)30-19(27)9-10-23-20(28)25-21-24-15-7-5-14(12-18(15)31-21)13-6-8-16(26)17(11-13)29-4/h5-8,11-12,26H,9-10H2,1-4H3,(H2,23,24,25,28)