[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamidopentanoate

Systemtic Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamidopentanoate Openeye Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] (2R)-2-benzamidopentanoate CAS Name: (2R)-2-benzamidopentanoic acid [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate Traditional Name: (2R)-2-benzamidovaleric acid [2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C22H23N3O5S MolecularWeight: 441.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC(=O)NC1=NC2=C(S1)C=C(C=C2)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC[C@H](C(=O)OCC(=O)NC1=NC2=C(S1)C=C(C=C2)OC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5S/c1-3-7-17(23-20(27)14-8-5-4-6-9-14)21(28)30-13-19(26)25-22-24-16-11-10-15(29-2)12-18(16)31-22/h4-6,8-12,17H,3,7,13H2,1-2H3,(H,23,27)(H,24,25,26)/t17-/m1/s1