[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17BrFNO3S MolecularWeight: 426.299883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H17BrFNO3S/c1-10(17(22)21-14-7-6-12(19)9-13(14)20)24-18(23)16-8-11-4-2-3-5-15(11)25-16/h6-10H,2-5H2,1H3,(H,21,22)