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

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]-4-fluoranyl-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-4-fluoro-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]-4-fluoro-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]-4-fluoro-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-4-fluoro-5-phenyl-2-thenoic acid Formula: C21H16Cl2FNO3S MolecularWeight: 452.326043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1F)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)N(C1=C(SC(=C1F)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H16Cl2FNO3S/c1-11(2)25(20(26)14-9-8-13(22)10-15(14)23)17-16(24)18(29-19(17)21(27)28)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,27,28)