tert-butyl 2-(hexadecylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: tert-butyl 2-(hexadecylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylate Openeye Name: tert-butyl 2-(hexadecylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[(hexadecylamino)-oxomethyl]amino]-4-methyl-5-[(octylamino)-oxomethyl]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(hexadecylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-(cetylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylic acid tert-butyl ester Formula: C36H65N3O4S MolecularWeight: 635.984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCCCCCC)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCCCCCC)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C36H65N3O4S/c1-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-38-35(42)39-33-30(34(41)43-36(4,5)6)29(3)31(44-33)32(40)37-27-25-23-14-12-10-8-2/h7-28H2,1-6H3,(H,37,40)(H2,38,39,42)