ethyl 2-[4,7-dimethoxy-2-(4-methylsulfanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4,7-dimethoxy-2-(4-methylsulfanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4,7-dimethoxy-2-(4-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,7-dimethoxy-2-[[4-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4,7-dimethoxy-2-(4-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,7-dimethoxy-2-[4-(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=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)SC)OC)OC

Isomeric SMILES

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

InChI

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