[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-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] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H17BrFNO3S MolecularWeight: 438.310583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)Br)F)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)Br)F)C=C1

InChI

InChI=1S/C19H17BrFNO3S/c1-10-3-4-12-8-17(26-16(12)7-10)19(24)25-11(2)18(23)22-15-6-5-13(20)9-14(15)21/h3-7,9,11,17H,8H2,1-2H3,(H,22,23)