5-[5-(1,3-benzoxazol-2-yl)furan-3-yl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-[5-(1,3-benzoxazol-2-yl)furan-3-yl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-[5-(1,3-benzoxazol-2-yl)-3-furyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[5-(1,3-benzoxazol-2-yl)-3-furanyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-(1,3-benzoxazol-2-yl)furan-3-yl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-[5-(1,3-benzoxazol-2-yl)-3-furyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=COC(=C3)C4=NC5=CC=CC=C5O4)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=COC(=C3)C4=NC5=CC=CC=C5O4)C(=O)O)C(C)C

InChI

InChI=1S/C27H28N2O5S/c1-15(2)29(26(30)17-10-8-16(3)9-11-17)20-13-23(35-24(20)27(31)32)18-12-22(33-14-18)25-28-19-6-4-5-7-21(19)34-25/h4-7,12-17H,8-11H2,1-3H3,(H,31,32)