ethyl 3-acetyloxy-5-oxidanylidene-5-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]pentanoate

Systemtic Name: ethyl 3-acetyloxy-5-oxidanylidene-5-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]pentanoate Openeye Name: ethyl 3-acetoxy-5-oxo-5-[[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]pentanoate CAS Name: 3-acetyloxy-5-oxo-5-[[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 3-acetyloxy-5-oxo-5-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]pentanoate Traditional Name: 3-acetoxy-5-keto-5-[[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]amino]valeric acid ethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S2/c1-3-29-21(28)11-17(30-14(2)26)10-20(27)24-16-6-7-18-19(9-16)32-22(25-18)31-13-15-5-4-8-23-12-15/h4-9,12,17H,3,10-11,13H2,1-2H3,(H,24,27)