ethyl 2-[3-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridin-2-yl]ethanoate

Systemtic Name: ethyl 2-[3-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridin-2-yl]ethanoate Openeye Name: ethyl 2-[3-[[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]-2-pyridyl]acetate CAS Name: 2-[3-[oxo-[[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]amino]methyl]-2-pyridinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridin-2-yl]acetate Traditional Name: 2-[3-[[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]carbamoyl]-2-pyridyl]acetic acid ethyl ester Formula: C23H20N4O3S2 MolecularWeight: 464.5599

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)CC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H20N4O3S2/c1-2-30-21(28)12-19-17(6-4-10-25-19)22(29)26-16-7-8-18-20(11-16)32-23(27-18)31-14-15-5-3-9-24-13-15/h3-11,13H,2,12,14H2,1H3,(H,26,29)