3-[(2-acetamido-4-methyl-cyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2-acetamido-4-methyl-cyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2-acetamido-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2-acetamido-4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-acetamido-4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2-acetamido-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)NC(=O)C)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(C(C1)NC(=O)C)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C

InChI

InChI=1S/C24H30N2O4S/c1-14(2)26(23(28)18-11-10-15(3)12-19(18)25-16(4)27)20-13-21(31-22(20)24(29)30)17-8-6-5-7-9-17/h5-9,13-15,18-19H,10-12H2,1-4H3,(H,25,27)(H,29,30)