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

Systemtic Name: tert-butyl 5-heptyl-2-(octylcarbamoylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-heptyl-2-(octylcarbamoylamino)thiophene-3-carboxylate CAS Name: 5-heptyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-heptyl-2-(octylcarbamoylamino)thiophene-3-carboxylate Traditional Name: 5-heptyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C25H44N2O3S MolecularWeight: 452.69346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44N2O3S/c1-6-8-10-12-14-16-18-26-24(29)27-22-21(23(28)30-25(3,4)5)19-20(31-22)17-15-13-11-9-7-2/h19H,6-18H2,1-5H3,(H2,26,27,29)