5-(4-ethylphenyl)-3-[(4-methyl-2-oxidanyl-phenyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-ethylphenyl)-3-[(4-methyl-2-oxidanyl-phenyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(4-ethylphenyl)-3-[(2-hydroxy-4-methyl-benzoyl)-isopropyl-amino]thiophene-2-carboxylic acid CAS Name: 5-(4-ethylphenyl)-3-[[(2-hydroxy-4-methylphenyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-ethylphenyl)-3-[(2-hydroxy-4-methylbenzoyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-ethylphenyl)-3-[(2-hydroxy-4-methyl-benzoyl)-isopropyl-amino]-2-thenoic acid Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)N(C(C)C)C(=O)C3=C(C=C(C=C3)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)N(C(C)C)C(=O)C3=C(C=C(C=C3)C)O

InChI

InChI=1S/C24H25NO4S/c1-5-16-7-9-17(10-8-16)21-13-19(22(30-21)24(28)29)25(14(2)3)23(27)18-11-6-15(4)12-20(18)26/h6-14,26H,5H2,1-4H3,(H,28,29)