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

Systemtic Name: 3-[[3-(4-tert-butylphenyl)-2-methyl-propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[3-(4-tert-butylphenyl)-2-methyl-propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[3-(4-tert-butylphenyl)-2-methyl-1-oxopropyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[3-(4-tert-butylphenyl)-2-methylpropanoyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[3-(4-tert-butylphenyl)-2-methyl-propanoyl]amino]-5-phenyl-2-thenoic acid Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3S/c1-16(14-17-10-12-19(13-11-17)25(2,3)4)23(27)26-20-15-21(30-22(20)24(28)29)18-8-6-5-7-9-18/h5-13,15-16H,14H2,1-4H3,(H,26,27)(H,28,29)