5-(6-furo[3,2-b]pyridin-2-ylpyridin-3-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(6-furo[3,2-b]pyridin-2-ylpyridin-3-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(6-furo[3,2-b]pyridin-2-yl-3-pyridyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[6-(2-furo[3,2-b]pyridinyl)-3-pyridinyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(6-furo[3,2-b]pyridin-2-ylpyridin-3-yl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(6-furo[3,2-b]pyridin-2-yl-3-pyridyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H29N3O4S/c1-16(2)31(27(32)18-8-6-17(3)7-9-18)22-14-25(36-26(22)28(33)34)19-10-11-20(30-15-19)24-13-21-23(35-24)5-4-12-29-21/h4-5,10-18H,6-9H2,1-3H3,(H,33,34)