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

Systemtic Name: 3-[(4-chlorophenyl)methyl-cyclobutylcarbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methyl-(cyclobutanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methyl-[cyclobutyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methyl-(cyclobutanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-chlorobenzyl)-(cyclobutanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C23H20ClNO3S MolecularWeight: 425.9278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N(CC2=CC=C(C=C2)Cl)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(C1)C(=O)N(CC2=CC=C(C=C2)Cl)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H20ClNO3S/c24-18-11-9-15(10-12-18)14-25(22(26)17-7-4-8-17)19-13-20(29-21(19)23(27)28)16-5-2-1-3-6-16/h1-3,5-6,9-13,17H,4,7-8,14H2,(H,27,28)