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

Systemtic Name: 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[4-(2-furo[3,2-b]pyridinyl)phenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-furo[3,2-b]pyridin-2-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=CC5=C(O4)C=CC=N5)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=CC5=C(O4)C=CC=N5)C(=O)O)C(C)C

InChI

InChI=1S/C29H30N2O4S/c1-17(2)31(28(32)21-8-6-18(3)7-9-21)23-16-26(36-27(23)29(33)34)20-12-10-19(11-13-20)25-15-22-24(35-25)5-4-14-30-22/h4-5,10-18,21H,6-9H2,1-3H3,(H,33,34)