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

Systemtic Name: 5-(decylcarbamoylamino)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid Openeye Name: 4-tert-butoxycarbonyl-5-(decylcarbamoylamino)-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[(decylamino)-oxomethyl]amino]-3-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-(decylcarbamoylamino)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid Traditional Name: 4-tert-butoxycarbonyl-5-(decylcarbamoylamino)-3-methyl-2-thenoic acid Formula: C22H36N2O5S MolecularWeight: 440.59664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O5S/c1-6-7-8-9-10-11-12-13-14-23-21(28)24-18-16(20(27)29-22(3,4)5)15(2)17(30-18)19(25)26/h6-14H2,1-5H3,(H,25,26)(H2,23,24,28)