6-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-methoxycarbonyl-4-(p-tolyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[3-methoxycarbonyl-4-(4-methylphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-carbomethoxy-4-(p-tolyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H21NO5S MolecularWeight: 399.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C21H21NO5S/c1-12-7-9-13(10-8-12)16-11-28-19(17(16)21(26)27-2)22-18(23)14-5-3-4-6-15(14)20(24)25/h3-4,7-11,14-15H,5-6H2,1-2H3,(H,22,23)(H,24,25)