methyl 3-ethyl-2-[2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-ethyl-2-[2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-[2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]acetyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)N3CCC(CC3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)N3CCC(CC3)C

InChI

InChI=1S/C21H27N3O4S2/c1-4-24-16-6-5-15(20(27)28-3)11-17(16)30-21(24)22-18(25)12-29-13-19(26)23-9-7-14(2)8-10-23/h5-6,11,14H,4,7-10,12-13H2,1-3H3