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

Systemtic Name: methyl 2-[6-bromanyl-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H22BrN3O4S2 MolecularWeight: 500.42968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O4S2/c1-27-18(26)10-23-14-6-5-13(20)9-15(14)29-19(23)21-16(24)11-28-12-17(25)22-7-3-2-4-8-22/h5-6,9H,2-4,7-8,10-12H2,1H3