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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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