[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrFN2O4S MolecularWeight: 457.313923

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)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C18H18BrFN2O4S/c1-11(17(24)22-15-5-4-13(19)9-14(15)20)26-16(23)3-2-7-21-18(25)12-6-8-27-10-12/h4-6,8-11H,2-3,7H2,1H3,(H,21,25)(H,22,24)