tert-butyl 3-oxidanylidene-3-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]propanoate

Systemtic Name: tert-butyl 3-oxidanylidene-3-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]propanoate Openeye Name: tert-butyl 3-oxo-3-[[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]propanoate CAS Name: 3-oxo-3-[[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-3-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]propanoate Traditional Name: 3-keto-3-[[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]amino]propionic acid tert-butyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CN=CC=C3

InChI

InChI=1S/C20H21N3O3S2/c1-20(2,3)26-18(25)10-17(24)22-14-6-7-15-16(9-14)28-19(23-15)27-12-13-5-4-8-21-11-13/h4-9,11H,10,12H2,1-3H3,(H,22,24)