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

Systemtic Name: methyl 3-ethyl-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S2/c1-3-23-15-8-7-14(19(26)27-2)11-16(15)29-20(23)21-17(24)12-28-13-18(25)22-9-5-4-6-10-22/h7-8,11H,3-6,9-10,12-13H2,1-2H3