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

Systemtic Name: ethyl 4-aminocarbonyl-5-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-carbamoyl-5-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-carbamoyl-5-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-5-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-carbamoyl-5-[3-[(4-fluorophenyl)thio]propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H19FN2O4S2 MolecularWeight: 410.482863

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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(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O4S2/c1-3-25-18(24)15-10(2)14(16(20)23)17(27-15)21-13(22)8-9-26-12-6-4-11(19)5-7-12/h4-7H,3,8-9H2,1-2H3,(H2,20,23)(H,21,22)