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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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