3-[butanoyl-[(4-chlorophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[butanoyl-[(4-chlorophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[butanoyl-[(4-chlorophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methyl-(1-oxobutyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[butanoyl-[(4-chlorophenyl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[butyryl-(4-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=C(C=C1)Cl)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

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