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

Systemtic Name: 5-[4-(furan-2-ylcarbonylamino)phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-[4-(furan-2-carbonylamino)phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[4-[[2-furanyl(oxo)methyl]amino]phenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-(furan-2-carbonylamino)phenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-[4-(2-furoylamino)phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4)C(=O)O)C(C)C

InChI

InChI=1S/C27H30N2O5S/c1-16(2)29(26(31)19-8-6-17(3)7-9-19)21-15-23(35-24(21)27(32)33)18-10-12-20(13-11-18)28-25(30)22-5-4-14-34-22/h4-5,10-17,19H,6-9H2,1-3H3,(H,28,30)(H,32,33)