[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C22H23N3O5S MolecularWeight: 441.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=NC2=CC=CC=C2S1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=NC2=CC=CC=C2S1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5S/c1-14(2)19(25-22(28)30-12-15-8-4-3-5-9-15)20(27)29-13-18(26)24-21-23-16-10-6-7-11-17(16)31-21/h3-11,14,19H,12-13H2,1-2H3,(H,25,28)(H,23,24,26)