5-heptyl-4-methyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-heptyl-4-methyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid Openeye Name: 5-heptyl-4-methyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid CAS Name: 5-heptyl-4-methyl-2-[[octoxy(oxo)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-heptyl-4-methyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 5-heptyl-4-methyl-2-(octoxycarbonylamino)-3-thenoic acid Formula: C22H37NO4S MolecularWeight: 411.59848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C(=C(S1)CCCCCCC)C)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C(=C(S1)CCCCCCC)C)C(=O)O

InChI

InChI=1S/C22H37NO4S/c1-4-6-8-10-12-14-16-27-22(26)23-20-19(21(24)25)17(3)18(28-20)15-13-11-9-7-5-2/h4-16H2,1-3H3,(H,23,26)(H,24,25)