methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxy-2-oxo-ethyl)-2-[2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[1-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]ethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxy-2-oxoethyl)-2-[2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-[2-[(2-keto-2-piperidino-ethyl)thio]acetyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H27N3O6S2 MolecularWeight: 493.59628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)N3CCCCC3

InChI

InChI=1S/C22H27N3O6S2/c1-3-31-20(28)12-25-16-8-7-15(21(29)30-2)11-17(16)33-22(25)23-18(26)13-32-14-19(27)24-9-5-4-6-10-24/h7-8,11H,3-6,9-10,12-14H2,1-2H3