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

Systemtic Name: ethyl 2-[2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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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)OCC)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S2/c1-4-12-27-19-11-10-17(23(30)31-6-3)14-20(19)33-24(27)25-21(28)15-32-16-22(29)26-13-8-7-9-18(26)5-2/h1,10-11,14,18H,5-9,12-13,15-16H2,2-3H3