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

Systemtic Name: 6-[[4-(2,5-dimethylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(2,5-dimethylphenyl)-3-ethoxycarbonyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[4-(2,5-dimethylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(2,5-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-carbethoxy-4-(2,5-dimethylphenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5S/c1-4-29-23(28)19-18(17-11-13(2)9-10-14(17)3)12-30-21(19)24-20(25)15-7-5-6-8-16(15)22(26)27/h5-6,9-12,15-16H,4,7-8H2,1-3H3,(H,24,25)(H,26,27)