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

Systemtic Name: tert-butyl 2-(octylcarbamoylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: tert-butyl 5-benzyl-2-(octylcarbamoylamino)thiophene-3-carboxylate CAS Name: 2-[[(octylamino)-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-benzyl-2-(octylcarbamoylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C25H36N2O3S MolecularWeight: 444.62994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H36N2O3S/c1-5-6-7-8-9-13-16-26-24(29)27-22-21(23(28)30-25(2,3)4)18-20(31-22)17-19-14-11-10-12-15-19/h10-12,14-15,18H,5-9,13,16-17H2,1-4H3,(H2,26,27,29)