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

Systemtic Name: ethyl (1S,2S)-1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-2-(oxidanylcarbamoyl)cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropanecarboxylate CAS Name: (1S,2S)-1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-2-[(hydroxyamino)-oxomethyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate Traditional Name: (1S,2S)-1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropanecarboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@]1(C[C@@H]1C(=O)NO)C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O5S/c1-2-27-20(25)21(11-15(21)19(24)23-26)13-6-5-7-14(10-13)28-12-18-22-16-8-3-4-9-17(16)29-18/h3-10,15,26H,2,11-12H2,1H3,(H,23,24)/t15-,21-/m1/s1