3-[2-(2-chloranyl-4-fluoranyl-phenyl)ethanoyl-prop-2-enyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[2-(2-chloranyl-4-fluoranyl-phenyl)ethanoyl-prop-2-enyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[allyl-[2-(2-chloro-4-fluoro-phenyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-(2-chloro-4-fluorophenyl)-1-oxoethyl]-prop-2-enylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(2-chloro-4-fluorophenyl)acetyl]-prop-2-enylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[allyl-[2-(2-chloro-4-fluoro-phenyl)acetyl]amino]-5-phenyl-2-thenoic acid Formula: C22H17ClFNO3S MolecularWeight: 429.891683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C=CCN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C22H17ClFNO3S/c1-2-10-25(20(26)11-15-8-9-16(24)12-17(15)23)18-13-19(29-21(18)22(27)28)14-6-4-3-5-7-14/h2-9,12-13H,1,10-11H2,(H,27,28)