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

Systemtic Name: ethyl 3-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C18H20FN3O2S3 MolecularWeight: 425.563703

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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O2S3/c1-5-24-15(23)14-10(13-11(19)7-6-8-12(13)26-14)9-25-17-22-21-16(27-17)20-18(2,3)4/h6-8H,5,9H2,1-4H3,(H,20,21)