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

Systemtic Name: 6-[[4-(3,4-dichlorophenyl)-3-methoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(3,4-dichlorophenyl)-3-methoxycarbonyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[4-(3,4-dichlorophenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(3,4-dichlorophenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-carbomethoxy-4-(3,4-dichlorophenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H17Cl2NO5S MolecularWeight: 454.32368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2NO5S/c1-28-20(27)16-13(10-6-7-14(21)15(22)8-10)9-29-18(16)23-17(24)11-4-2-3-5-12(11)19(25)26/h2-3,6-9,11-12H,4-5H2,1H3,(H,23,24)(H,25,26)