5-heptyl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-heptyl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylic acid Openeye Name: 5-heptyl-2-(1-methylheptoxycarbonylamino)thiophene-3-carboxylic acid CAS Name: 5-heptyl-2-[[octan-2-yloxy(oxo)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-heptyl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 5-heptyl-2-(1-methylheptoxycarbonylamino)-3-thenoic acid Formula: C21H35NO4S MolecularWeight: 397.5719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(S1)NC(=O)OC(C)CCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC(=C(S1)NC(=O)OC(C)CCCCCC)C(=O)O

InChI

InChI=1S/C21H35NO4S/c1-4-6-8-10-12-14-17-15-18(20(23)24)19(27-17)22-21(25)26-16(3)13-11-9-7-5-2/h15-16H,4-14H2,1-3H3,(H,22,25)(H,23,24)