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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC

Isomeric SMILES

CCC1CCCCN1C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC

InChI

InChI=1S/C22H29N3O4S2/c1-4-16-8-6-7-11-25(16)20(27)14-30-13-19(26)23-22-24(5-2)17-10-9-15(21(28)29-3)12-18(17)31-22/h9-10,12,16H,4-8,11,13-14H2,1-3H3