ethyl 2-[6-chloranyl-2-[2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-chloranyl-2-[2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-chloro-2-[2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-chloro-2-[2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-chloro-2-[2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-chloro-2-[2-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]acetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H28ClN3O4S2 MolecularWeight: 498.05842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O4S2/c1-3-16-7-5-6-10-25(16)20(28)14-31-13-19(27)24-22-26(12-21(29)30-4-2)17-9-8-15(23)11-18(17)32-22/h8-9,11,16H,3-7,10,12-14H2,1-2H3