(1S,2R)-2-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(3-cyano-5-methyl-4-p-cumenyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2CCCCC2C(=O)O)C#N)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C#N)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H26N2O3S/c1-13(2)15-8-10-16(11-9-15)20-14(3)29-22(19(20)12-24)25-21(26)17-6-4-5-7-18(17)23(27)28/h8-11,13,17-18H,4-7H2,1-3H3,(H,25,26)(H,27,28)/t17-,18+/m1/s1