6-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3-cyano-5-methyl-4-p-cumenyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C#N)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C#N)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H24N2O3S/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/h4-5,8-11,13,17-18H,6-7H2,1-3H3,(H,25,26)(H,27,28)