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

Systemtic Name: ethyl 3-ethyl-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-[2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[1-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]ethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-[2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[2-[(2-keto-2-piperidino-ethyl)thio]acetyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O4S2/c1-3-24-16-9-8-15(20(27)28-4-2)12-17(16)30-21(24)22-18(25)13-29-14-19(26)23-10-6-5-7-11-23/h8-9,12H,3-7,10-11,13-14H2,1-2H3