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

Systemtic Name: 3-[(2-bromanyl-4-methyl-phenyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2-bromo-4-methyl-benzoyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2-bromo-4-methylphenyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-bromo-4-methylbenzoyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2-bromo-4-methyl-benzoyl)-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C22H20BrNO3S MolecularWeight: 458.3681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO3S/c1-13(2)24(21(25)16-10-9-14(3)11-17(16)23)18-12-19(28-20(18)22(26)27)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,26,27)