3-[[1-(2,4-dimethylcyclohexyl)-2-methyl-1-oxidanylidene-propan-2-yl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[1-(2,4-dimethylcyclohexyl)-2-methyl-1-oxidanylidene-propan-2-yl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[2-(2,4-dimethylcyclohexyl)-1,1-dimethyl-2-oxo-ethyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[1-(2,4-dimethylcyclohexyl)-2-methyl-1-oxopropan-2-yl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[1-(2,4-dimethylcyclohexyl)-2-methyl-1-oxopropan-2-yl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[2-(2,4-dimethylcyclohexyl)-2-keto-1,1-dimethyl-ethyl]amino]-5-phenyl-2-thenoic acid Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C)C(=O)C(C)(C)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1CCC(C(C1)C)C(=O)C(C)(C)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H29NO3S/c1-14-10-11-17(15(2)12-14)21(25)23(3,4)24-18-13-19(28-20(18)22(26)27)16-8-6-5-7-9-16/h5-9,13-15,17,24H,10-12H2,1-4H3,(H,26,27)