3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-[6-(pyridin-2-ylcarbonylamino)pyridin-3-yl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-[6-(pyridin-2-ylcarbonylamino)pyridin-3-yl]thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-[6-(pyridine-2-carbonylamino)-3-pyridyl]thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-[6-[[oxo(2-pyridinyl)methyl]amino]-3-pyridinyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[6-(pyridine-2-carbonylamino)pyridin-3-yl]thiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(6-picolinamido-3-pyridyl)-2-thenoic acid Formula: C27H30N4O4S MolecularWeight: 506.6165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CN=C(C=C3)NC(=O)C4=CC=CC=N4)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CN=C(C=C3)NC(=O)C4=CC=CC=N4)C(=O)O)C(C)C

InChI

InChI=1S/C27H30N4O4S/c1-16(2)31(26(33)18-9-7-17(3)8-10-18)21-14-22(36-24(21)27(34)35)19-11-12-23(29-15-19)30-25(32)20-6-4-5-13-28-20/h4-6,11-18H,7-10H2,1-3H3,(H,34,35)(H,29,30,32)