ethyl 2-[6-methylsulfanyl-2-[2-(phenylmethylsulfanyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-methylsulfanyl-2-[2-(phenylmethylsulfanyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2-benzylsulfanylacetyl)imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-(methylthio)-2-[1-oxo-2-(phenylmethylthio)ethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-benzylsulfanylacetyl)imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(benzylthio)acetyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O3S3 MolecularWeight: 446.60598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S3/c1-3-26-20(25)12-23-17-10-9-16(27-2)11-18(17)29-21(23)22-19(24)14-28-13-15-7-5-4-6-8-15/h4-11H,3,12-14H2,1-2H3