6-[[3-methoxycarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-methoxycarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[6-(1,1-dimethylpropyl)-3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[3-methoxycarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-methoxycarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(6-tert-amyl-3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C23H31NO5S MolecularWeight: 433.56094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C23H31NO5S/c1-5-23(2,3)13-10-11-16-17(12-13)30-20(18(16)22(28)29-4)24-19(25)14-8-6-7-9-15(14)21(26)27/h6-7,13-15H,5,8-12H2,1-4H3,(H,24,25)(H,26,27)