3-[(3-methoxyphenyl)methyl-(3-methylbutanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(3-methoxyphenyl)methyl-(3-methylbutanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(3-methoxyphenyl)methyl-(3-methylbutanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(3-methoxyphenyl)methyl-(3-methyl-1-oxobutyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(3-methoxyphenyl)methyl-(3-methylbutanoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[isovaleryl(m-anisyl)amino]-5-phenyl-2-thenoic acid Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO4S/c1-16(2)12-22(26)25(15-17-8-7-11-19(13-17)29-3)20-14-21(30-23(20)24(27)28)18-9-5-4-6-10-18/h4-11,13-14,16H,12,15H2,1-3H3,(H,27,28)