methyl 2-[2-(4-fluorophenyl)ethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(4-fluorophenyl)ethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-[2-(4-fluorophenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-fluorophenyl)-1-oxoethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-fluorophenyl)acetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[2-(4-fluorophenyl)acetyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)F)S2)CC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)F)S2)CC=C

InChI

InChI=1S/C20H17FN2O3S/c1-3-10-23-16-9-6-14(19(25)26-2)12-17(16)27-20(23)22-18(24)11-13-4-7-15(21)8-5-13/h3-9,12H,1,10-11H2,2H3