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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-[5-(pyridin-2-ylcarbonylamino)thiophen-2-yl]thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-[5-(pyridine-2-carbonylamino)-2-thienyl]thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-[5-[[oxo(2-pyridinyl)methyl]amino]-2-thiophenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[5-(pyridine-2-carbonylamino)thiophen-2-yl]thiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(5-picolinamido-2-thienyl)-2-thenoic acid Formula: C26H29N3O4S2 MolecularWeight: 511.65616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(S3)NC(=O)C4=CC=CC=N4)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(S3)NC(=O)C4=CC=CC=N4)C(=O)O)C(C)C

InChI

InChI=1S/C26H29N3O4S2/c1-15(2)29(25(31)17-9-7-16(3)8-10-17)19-14-21(35-23(19)26(32)33)20-11-12-22(34-20)28-24(30)18-6-4-5-13-27-18/h4-6,11-17H,7-10H2,1-3H3,(H,28,30)(H,32,33)