5-(hexadecylcarbamoylamino)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid

Systemtic Name: 5-(hexadecylcarbamoylamino)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid Openeye Name: 4-tert-butoxycarbonyl-5-(hexadecylcarbamoylamino)-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[(hexadecylamino)-oxomethyl]amino]-3-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-(hexadecylcarbamoylamino)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid Traditional Name: 4-tert-butoxycarbonyl-5-(cetylcarbamoylamino)-3-methyl-2-thenoic acid Formula: C28H48N2O5S MolecularWeight: 524.75612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H48N2O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-27(34)30-24-22(26(33)35-28(3,4)5)21(2)23(36-24)25(31)32/h6-20H2,1-5H3,(H,31,32)(H2,29,30,34)