ethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-[(4-fluorophenyl)thio]propanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H17FN2O3S2 MolecularWeight: 404.478283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C19H17FN2O3S2/c1-2-25-18(24)12-3-8-15-16(11-12)27-19(21-15)22-17(23)9-10-26-14-6-4-13(20)5-7-14/h3-8,11H,2,9-10H2,1H3,(H,21,22,23)