5-[4-(5-azanyl-1-benzofuran-2-yl)phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-[4-(5-azanyl-1-benzofuran-2-yl)phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-[4-(5-aminobenzofuran-2-yl)phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[4-(5-amino-2-benzofuranyl)phenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-(5-amino-1-benzofuran-2-yl)phenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-[4-(5-aminobenzofuran-2-yl)phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C30H32N2O4S MolecularWeight: 516.65108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=CC5=C(O4)C=CC(=C5)N)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=CC5=C(O4)C=CC(=C5)N)C(=O)O)C(C)C

InChI

InChI=1S/C30H32N2O4S/c1-17(2)32(29(33)21-6-4-18(3)5-7-21)24-16-27(37-28(24)30(34)35)20-10-8-19(9-11-20)26-15-22-14-23(31)12-13-25(22)36-26/h8-18,21H,4-7,31H2,1-3H3,(H,34,35)