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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCC3C)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCC3C)S2)C

InChI

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