3-[(4-bromanyl-2-methyl-phenyl)carbonyl-propan-2-yl-amino]-5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-bromanyl-2-methyl-phenyl)carbonyl-propan-2-yl-amino]-5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxylic acid Openeye Name: 3-[(4-bromo-2-methyl-benzoyl)-isopropyl-amino]-5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxylic acid CAS Name: 3-[[(4-bromo-2-methylphenyl)-oxomethyl]-propan-2-ylamino]-5-[4-(2-imidazo[1,2-a]pyridinyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-bromo-2-methylbenzoyl)-propan-2-ylamino]-5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxylic acid Traditional Name: 3-[(4-bromo-2-methyl-benzoyl)-isopropyl-amino]-5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-thenoic acid Formula: C29H24BrN3O3S MolecularWeight: 574.48816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=CN5C=CC=CC5=N4)C(=O)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=CN5C=CC=CC5=N4)C(=O)O)C(C)C

InChI

InChI=1S/C29H24BrN3O3S/c1-17(2)33(28(34)22-12-11-21(30)14-18(22)3)24-15-25(37-27(24)29(35)36)20-9-7-19(8-10-20)23-16-32-13-5-4-6-26(32)31-23/h4-17H,1-3H3,(H,35,36)