4-oxidanylidene-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide Openeye Name: 4-oxo-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]-6,7-dihydro-5H-benzofuran-3-carboxamide CAS Name: 4-oxo-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-6,7-dihydro-5H-benzofuran-3-carboxamide IUPAC Name: 4-oxo-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide Traditional Name: 4-keto-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]-6,7-dihydro-5H-benzofuran-3-carboxamide Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=CO2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CN=CC=C5

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=CO2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CN=CC=C5

InChI

InChI=1S/C22H17N3O3S2/c26-17-4-1-5-18-20(17)15(11-28-18)21(27)24-14-6-7-16-19(9-14)30-22(25-16)29-12-13-3-2-8-23-10-13/h2-3,6-11H,1,4-5,12H2,(H,24,27)