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

Systemtic Name: 3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-(octylcarbamoylamino)thiophene-2-carboxylic acid Openeye Name: 4-tert-butoxycarbonyl-3-methyl-5-(octylcarbamoylamino)thiophene-2-carboxylic acid CAS Name: 3-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-[[(octylamino)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-(octylcarbamoylamino)thiophene-2-carboxylic acid Traditional Name: 4-tert-butoxycarbonyl-3-methyl-5-(octylcarbamoylamino)-2-thenoic acid Formula: C20H32N2O5S MolecularWeight: 412.54348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O5S/c1-6-7-8-9-10-11-12-21-19(26)22-16-14(18(25)27-20(3,4)5)13(2)15(28-16)17(23)24/h6-12H2,1-5H3,(H,23,24)(H2,21,22,26)