ethyl 2-[6-bromanyl-2-(2-ethanoylsulfanylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-bromanyl-2-(2-ethanoylsulfanylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-bromo-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(acetylthio)-1-oxoethyl]imino-6-bromo-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-bromo-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(acetylthio)acetyl]imino-6-bromo-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C15H15BrN2O4S2 MolecularWeight: 431.3246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSC(=O)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSC(=O)C

InChI

InChI=1S/C15H15BrN2O4S2/c1-3-22-14(21)7-18-11-5-4-10(16)6-12(11)24-15(18)17-13(20)8-23-9(2)19/h4-6H,3,7-8H2,1-2H3