methyl 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfonylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[2-(1-azepanyl)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[2-(azepan-1-yl)-2-keto-ethyl]sulfonylacetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H25N3O6S2 MolecularWeight: 491.5804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3)S2)CC#C

InChI

InChI=1S/C22H25N3O6S2/c1-3-10-25-17-9-8-16(21(28)31-2)13-18(17)32-22(25)23-19(26)14-33(29,30)15-20(27)24-11-6-4-5-7-12-24/h1,8-9,13H,4-7,10-12,14-15H2,2H3