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

Systemtic Name: ethyl 3-ethyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-[2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]acetyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCCC(C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCCC(C3)C

InChI

InChI=1S/C22H29N3O4S2/c1-4-25-17-9-8-16(21(28)29-5-2)11-18(17)31-22(25)23-19(26)13-30-14-20(27)24-10-6-7-15(3)12-24/h8-9,11,15H,4-7,10,12-14H2,1-3H3