3-[[3-(4-chlorophenyl)-2,2-dimethyl-propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[3-(4-chlorophenyl)-2,2-dimethyl-propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[3-(4-chlorophenyl)-2,2-dimethyl-propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[3-(4-chlorophenyl)-2,2-dimethyl-1-oxopropyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[3-(4-chlorophenyl)-2,2-dimethylpropanoyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[3-(4-chlorophenyl)-2,2-dimethyl-propanoyl]amino]-5-phenyl-2-thenoic acid Formula: C22H20ClNO3S MolecularWeight: 413.9171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)Cl)C(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)Cl)C(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H20ClNO3S/c1-22(2,13-14-8-10-16(23)11-9-14)21(27)24-17-12-18(28-19(17)20(25)26)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,27)(H,25,26)