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

Systemtic Name: ethyl 2-[6-bromanyl-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-[2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[1-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]ethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-[2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[2-[(2-keto-2-piperidino-ethyl)thio]acetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H24BrN3O4S2 MolecularWeight: 514.45626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCCCC3

InChI

InChI=1S/C20H24BrN3O4S2/c1-2-28-19(27)11-24-15-7-6-14(21)10-16(15)30-20(24)22-17(25)12-29-13-18(26)23-8-4-3-5-9-23/h6-7,10H,2-5,8-9,11-13H2,1H3