3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-[6-(1,3-thiazol-4-ylcarbonylamino)pyridin-3-yl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-[6-(1,3-thiazol-4-ylcarbonylamino)pyridin-3-yl]thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-[6-(thiazole-4-carbonylamino)-3-pyridyl]thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-[6-[[oxo(4-thiazolyl)methyl]amino]-3-pyridinyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[6-(1,3-thiazole-4-carbonylamino)pyridin-3-yl]thiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-[6-(thiazole-4-carbonylamino)-3-pyridyl]-2-thenoic acid Formula: C25H28N4O4S2 MolecularWeight: 512.64422

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H28N4O4S2/c1-14(2)29(24(31)16-6-4-15(3)5-7-16)19-10-20(35-22(19)25(32)33)17-8-9-21(26-11-17)28-23(30)18-12-34-13-27-18/h8-16H,4-7H2,1-3H3,(H,32,33)(H,26,28,30)