3-[(2-chlorophenyl)methyl-(2-methylpropanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2-chlorophenyl)methyl-(2-methylpropanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2-chlorophenyl)methyl-(2-methylpropanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2-chlorophenyl)methyl-(2-methyl-1-oxopropyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-chlorophenyl)methyl-(2-methylpropanoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2-chlorobenzyl)-isobutyryl-amino]-5-phenyl-2-thenoic acid Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1=CC=CC=C1Cl)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C(=O)N(CC1=CC=CC=C1Cl)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

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