ethyl 3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C14H12FN3O2S3 MolecularWeight: 369.457383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(S3)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(S3)N

InChI

InChI=1S/C14H12FN3O2S3/c1-2-20-12(19)11-7(6-21-14-18-17-13(16)23-14)10-8(15)4-3-5-9(10)22-11/h3-5H,2,6H2,1H3,(H2,16,17)