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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C(=CS1)C(CCCC)CCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C(=CS1)C(CCCC)CCCCC)C(=O)O

InChI

InChI=1S/C24H41NO4S/c1-4-7-10-11-12-14-17-29-24(28)25-22-21(23(26)27)20(18-30-22)19(15-9-6-3)16-13-8-5-2/h18-19H,4-17H2,1-3H3,(H,25,28)(H,26,27)