ethyl 2-[5,6-dimethoxy-2-(2-methylsulfanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,6-dimethoxy-2-(2-methylsulfanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,6-dimethoxy-2-(2-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethoxy-2-[[2-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,6-dimethoxy-2-(2-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,6-dimethoxy-2-[2-(methylthio)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC=CC=C3SC)OC)OC

Isomeric SMILES

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC=CC=C3SC)OC)OC

InChI

InChI=1S/C21H22N2O5S2/c1-5-28-19(24)12-23-14-10-15(26-2)16(27-3)11-18(14)30-21(23)22-20(25)13-8-6-7-9-17(13)29-4/h6-11H,5,12H2,1-4H3