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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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