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

Systemtic Name: 3-[3-methylbutanoyl-(phenylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[benzyl(3-methylbutanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(3-methyl-1-oxobutyl)-(phenylmethyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[benzyl(3-methylbutanoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[benzyl(isovaleryl)amino]-5-phenyl-2-thenoic acid Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO3S/c1-16(2)13-21(25)24(15-17-9-5-3-6-10-17)19-14-20(28-22(19)23(26)27)18-11-7-4-8-12-18/h3-12,14,16H,13,15H2,1-2H3,(H,26,27)