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

Systemtic Name: 5-(4-furo[2,3-b]pyridin-5-ylphenyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(4-furo[2,3-b]pyridin-5-ylphenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[4-(5-furo[2,3-b]pyridinyl)phenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-furo[2,3-b]pyridin-5-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-furo[2,3-b]pyridin-5-ylphenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C29H30N2O4S MolecularWeight: 502.6245

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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=CN=C5C(=C4)C=CO5)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=CN=C5C(=C4)C=CO5)C(=O)O)C(C)C

InChI

InChI=1S/C29H30N2O4S/c1-17(2)31(28(32)21-6-4-18(3)5-7-21)24-15-25(36-26(24)29(33)34)20-10-8-19(9-11-20)23-14-22-12-13-35-27(22)30-16-23/h8-18,21H,4-7H2,1-3H3,(H,33,34)