ethyl 2-[2-(4-fluorophenyl)carbonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-fluorophenyl)carbonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-fluorobenzoyl)imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-fluorophenyl)-oxomethyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-fluorobenzoyl)imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-fluorobenzoyl)imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H17FN2O3S2 MolecularWeight: 404.478283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN2O3S2/c1-3-25-17(23)11-22-15-9-8-14(26-2)10-16(15)27-19(22)21-18(24)12-4-6-13(20)7-5-12/h4-10H,3,11H2,1-2H3