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

Systemtic Name: 6-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[5-[diethylamino(oxo)methyl]-3-ethoxycarbonyl-4-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-carbethoxy-5-(diethylcarbamoyl)-4-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C(=O)OCC)C

InChI

InChI=1S/C21H28N2O6S/c1-5-23(6-2)19(25)16-12(4)15(21(28)29-7-3)18(30-16)22-17(24)13-10-8-9-11-14(13)20(26)27/h8-9,13-14H,5-7,10-11H2,1-4H3,(H,22,24)(H,26,27)