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

Systemtic Name: 3-[(3-tert-butylphenyl)methyl-(4-methylphenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(3-tert-butylphenyl)methyl-(4-methylbenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(3-tert-butylphenyl)methyl-[(4-methylphenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(3-tert-butylphenyl)methyl-(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(3-tert-butylbenzyl)-p-toluoyl-amino]-5-phenyl-2-thenoic acid Formula: C30H29NO3S MolecularWeight: 483.62116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)C(C)(C)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)C(C)(C)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H29NO3S/c1-20-13-15-23(16-14-20)28(32)31(19-21-9-8-12-24(17-21)30(2,3)4)25-18-26(35-27(25)29(33)34)22-10-6-5-7-11-22/h5-18H,19H2,1-4H3,(H,33,34)