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

Systemtic Name: 6-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C#N)C

InChI

InChI=1S/C17H18N2O5S/c1-3-24-17(23)13-9(2)12(8-18)15(25-13)19-14(20)10-6-4-5-7-11(10)16(21)22/h4-5,10-11H,3,6-7H2,1-2H3,(H,19,20)(H,21,22)