6-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-carbethoxy-4-(3,4-dimethylphenyl)-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)C)C)C)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)C)C)C)NC(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C24H27NO5S/c1-5-30-24(29)20-19(16-11-10-13(2)14(3)12-16)15(4)31-22(20)25-21(26)17-8-6-7-9-18(17)23(27)28/h6-7,10-12,17-18H,5,8-9H2,1-4H3,(H,25,26)(H,27,28)