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

Systemtic Name: (1R,2S)-2-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[[3-cyano-5-methyl-4-(4-methylphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)[C@H]3CCCC[C@H]3C(=O)O)C

InChI

InChI=1S/C21H22N2O3S/c1-12-7-9-14(10-8-12)18-13(2)27-20(17(18)11-22)23-19(24)15-5-3-4-6-16(15)21(25)26/h7-10,15-16H,3-6H2,1-2H3,(H,23,24)(H,25,26)/t15-,16+/m0/s1