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

Systemtic Name: 3-[(2-acetyloxy-4-methyl-cyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2-acetoxy-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2-acetyloxy-4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-acetyloxy-4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2-acetoxy-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO5S/c1-14(2)25(23(27)18-11-10-15(3)12-20(18)30-16(4)26)19-13-21(31-22(19)24(28)29)17-8-6-5-7-9-17/h5-9,13-15,18,20H,10-12H2,1-4H3,(H,28,29)