ethyl 1-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2-(oxidanylcarbamoyl)cyclopropane-1-carboxylate

Systemtic Name: ethyl 1-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2-(oxidanylcarbamoyl)cyclopropane-1-carboxylate Openeye Name: ethyl 1-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropanecarboxylate CAS Name: 1-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2-[(hydroxyamino)-oxomethyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)benzyl]-2-(hydroxycarbamoyl)cyclopropanecarboxylic acid ethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1C(=O)NO)CC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1(CC1C(=O)NO)CC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O5S/c1-2-28-21(26)22(12-16(22)20(25)24-27)11-14-7-9-15(10-8-14)29-13-19-23-17-5-3-4-6-18(17)30-19/h3-10,16,27H,2,11-13H2,1H3,(H,24,25)