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

Systemtic Name: 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[4-(2-imidazo[1,2-a]pyridinyl)phenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)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

CC1CCC(CC1)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/C29H31N3O3S/c1-18(2)32(28(33)22-9-7-19(3)8-10-22)24-16-25(36-27(24)29(34)35)21-13-11-20(12-14-21)23-17-31-15-5-4-6-26(31)30-23/h4-6,11-19,22H,7-10H2,1-3H3,(H,34,35)