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

Systemtic Name: ethyl 5-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[3-[(4-fluorophenyl)thio]propanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H17FN2O3S3 MolecularWeight: 424.532583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O3S3/c1-3-24-18(23)16-11(2)15(26-10-20)17(27-16)21-14(22)8-9-25-13-6-4-12(19)5-7-13/h4-7H,3,8-9H2,1-2H3,(H,21,22)