N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(3-oxo-1H-isobenzofuran-1-yl)acetamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-(3-oxo-1H-isobenzofuran-1-yl)acetamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-phthalidyl-acetamide Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C24H22N2O3S2/c1-2-3-4-5-8-13-30-24-26-19-12-11-16(14-21(19)31-24)25-22(27)15-20-17-9-6-7-10-18(17)23(28)29-20/h6-7,9-12,14,20H,2-3,8,13,15H2,1H3,(H,25,27)