tert-butyl 5-butyl-2-(octylcarbamoylamino)thiophene-3-carboxylate

Systemtic Name: tert-butyl 5-butyl-2-(octylcarbamoylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-butyl-2-(octylcarbamoylamino)thiophene-3-carboxylate CAS Name: 5-butyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-butyl-2-(octylcarbamoylamino)thiophene-3-carboxylate Traditional Name: 5-butyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C22H38N2O3S MolecularWeight: 410.61372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N2O3S/c1-6-8-10-11-12-13-15-23-21(26)24-19-18(20(25)27-22(3,4)5)16-17(28-19)14-9-7-2/h16H,6-15H2,1-5H3,(H2,23,24,26)