3-[[4-chloranyl-2,5-bis(fluoranyl)phenyl]carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[4-chloranyl-2,5-bis(fluoranyl)phenyl]carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-chloro-2,5-difluoro-benzoyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-chloro-2,5-difluorophenyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-chloro-2,5-difluorobenzoyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-chloro-2,5-difluoro-benzoyl)-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C21H16ClF2NO3S MolecularWeight: 435.871446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CC(=C(C=C3F)Cl)F

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CC(=C(C=C3F)Cl)F

InChI

InChI=1S/C21H16ClF2NO3S/c1-11(2)25(20(26)13-8-16(24)14(22)9-15(13)23)17-10-18(29-19(17)21(27)28)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,27,28)