methyl 3-[6-chloranyl-2-(4-fluorophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-chloranyl-2-(4-fluorophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-chloro-2-(4-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-chloro-2-[(4-fluorophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-chloro-2-(4-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-chloro-2-(4-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C18H14ClFN2O3S MolecularWeight: 392.831763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H14ClFN2O3S/c1-25-16(23)8-9-22-14-7-4-12(19)10-15(14)26-18(22)21-17(24)11-2-5-13(20)6-3-11/h2-7,10H,8-9H2,1H3