N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-6,7-dihydro-5H-benzofuran-3-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-oxo-6,7-dihydro-5H-benzofuran-3-carboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-keto-6,7-dihydro-5H-benzofuran-3-carboxamide Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=COC4=C3C(=O)CCC4

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=COC4=C3C(=O)CCC4

InChI

InChI=1S/C23H22N2O3S2/c1-2-3-4-5-6-12-29-23-25-17-11-10-15(13-20(17)30-23)24-22(27)16-14-28-19-9-7-8-18(26)21(16)19/h10-11,13-14H,2-3,6-9,12H2,1H3,(H,24,27)