4-decan-5-yl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-decan-5-yl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylic acid Openeye Name: 4-(1-butylhexyl)-2-(1-methylheptoxycarbonylamino)thiophene-3-carboxylic acid CAS Name: 4-decan-5-yl-2-[[octan-2-yloxy(oxo)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-decan-5-yl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 4-(1-butylhexyl)-2-(1-methylheptoxycarbonylamino)-3-thenoic acid Formula: C24H41NO4S MolecularWeight: 439.65164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)NC1=C(C(=CS1)C(CCCC)CCCCC)C(=O)O

Isomeric SMILES

CCCCCCC(C)OC(=O)NC1=C(C(=CS1)C(CCCC)CCCCC)C(=O)O

InChI

InChI=1S/C24H41NO4S/c1-5-8-11-13-14-18(4)29-24(28)25-22-21(23(26)27)20(17-30-22)19(15-10-7-3)16-12-9-6-2/h17-19H,5-16H2,1-4H3,(H,25,28)(H,26,27)