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

Systemtic Name: 3-[(4-chlorophenyl)methyl-cyclopropylcarbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methyl-[cyclopropyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-chlorobenzyl)-(cyclopropanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C22H18ClNO3S MolecularWeight: 411.90122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=C(C=C2)Cl)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=C(C=C2)Cl)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H18ClNO3S/c23-17-10-6-14(7-11-17)13-24(21(25)16-8-9-16)18-12-19(28-20(18)22(26)27)15-4-2-1-3-5-15/h1-7,10-12,16H,8-9,13H2,(H,26,27)