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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5S/c1-4-11-30-24(29)20-19(16-10-9-14(2)15(3)12-16)13-31-22(20)25-21(26)17-7-5-6-8-18(17)23(27)28/h5-6,9-10,12-13,17-18H,4,7-8,11H2,1-3H3,(H,25,26)(H,27,28)