ethyl 4-cyano-5-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-[(4-fluorophenyl)thio]propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H17FN2O3S2 MolecularWeight: 392.467583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=C(C=C2)F)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=C(C=C2)F)C#N)C

InChI

InChI=1S/C18H17FN2O3S2/c1-3-24-18(23)16-11(2)14(10-20)17(26-16)21-15(22)8-9-25-13-6-4-12(19)5-7-13/h4-7H,3,8-9H2,1-2H3,(H,21,22)