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

Systemtic Name: 3-[[3-(4-chlorophenyl)-2-methyl-propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[3-(4-chlorophenyl)-2-methyl-propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[3-(4-chlorophenyl)-2-methyl-1-oxopropyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[3-(4-chlorophenyl)-2-methylpropanoyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[3-(4-chlorophenyl)-2-methyl-propanoyl]amino]-5-phenyl-2-thenoic acid Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)Cl)C(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)Cl)C(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H18ClNO3S/c1-13(11-14-7-9-16(22)10-8-14)20(24)23-17-12-18(27-19(17)21(25)26)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,23,24)(H,25,26)