5-[4-[(2-ethylpyrazol-3-yl)carbonylamino]phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-[4-[(2-ethylpyrazol-3-yl)carbonylamino]phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[4-[[(2-ethyl-3-pyrazolyl)-oxomethyl]amino]phenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C28H34N4O4S MolecularWeight: 522.65896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(=O)NC2=CC=C(C=C2)C3=CC(=C(S3)C(=O)O)N(C(C)C)C(=O)C4CCC(CC4)C

Isomeric SMILES

CCN1C(=CC=N1)C(=O)NC2=CC=C(C=C2)C3=CC(=C(S3)C(=O)O)N(C(C)C)C(=O)C4CCC(CC4)C

InChI

InChI=1S/C28H34N4O4S/c1-5-31-22(14-15-29-31)26(33)30-21-12-10-19(11-13-21)24-16-23(25(37-24)28(35)36)32(17(2)3)27(34)20-8-6-18(4)7-9-20/h10-18,20H,5-9H2,1-4H3,(H,30,33)(H,35,36)