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

Systemtic Name: ethyl 2-[6-bromanyl-2-[2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-[2-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[2-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-[2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[2-[[2-keto-2-(2-methylpiperidino)ethyl]thio]acetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H26BrN3O4S2 MolecularWeight: 528.48284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCCCC3C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCCCC3C

InChI

InChI=1S/C21H26BrN3O4S2/c1-3-29-20(28)11-25-16-8-7-15(22)10-17(16)31-21(25)23-18(26)12-30-13-19(27)24-9-5-4-6-14(24)2/h7-8,10,14H,3-6,9,11-13H2,1-2H3