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

Systemtic Name: methyl 3-[6-chloranyl-2-(3-fluorophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-chloro-2-(3-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-chloro-2-[(3-fluorophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-chloro-2-(3-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-chloro-2-(3-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(=CC=C3)F

Isomeric SMILES

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

InChI

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