prop-2-ynyl 2-[N'-(1,3-benzothiazol-2-yl)carbamimidoyl]sulfanylethanoate

Systemtic Name: prop-2-ynyl 2-[N'-(1,3-benzothiazol-2-yl)carbamimidoyl]sulfanylethanoate Openeye Name: prop-2-ynyl 2-[N'-(1,3-benzothiazol-2-yl)carbamimidoyl]sulfanylacetate CAS Name: 2-[[amino(1,3-benzothiazol-2-ylimino)methyl]thio]acetic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 2-[N'-(1,3-benzothiazol-2-yl)carbamimidoyl]sulfanylacetate Traditional Name: 2-[[N'-(1,3-benzothiazol-2-yl)amidino]thio]acetic acid propargyl ester Formula: C13H11N3O2S2 MolecularWeight: 305.37534

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)CSC(=NC1=NC2=CC=CC=C2S1)N

Isomeric SMILES

C#CCOC(=O)CSC(=NC1=NC2=CC=CC=C2S1)N

InChI

InChI=1S/C13H11N3O2S2/c1-2-7-18-11(17)8-19-12(14)16-13-15-9-5-3-4-6-10(9)20-13/h1,3-6H,7-8H2,(H2,14,15,16)