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

Systemtic Name: tert-butyl 2-(dodecylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylate Openeye Name: tert-butyl 2-(dodecylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[(dodecylamino)-oxomethyl]amino]-4-methyl-5-[(octylamino)-oxomethyl]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(dodecylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-(laurylcarbamoylamino)-4-methyl-5-(octylcarbamoyl)thiophene-3-carboxylic acid tert-butyl ester Formula: C32H57N3O4S MolecularWeight: 579.87768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H57N3O4S/c1-7-9-11-13-15-16-17-18-20-22-24-34-31(38)35-29-26(30(37)39-32(4,5)6)25(3)27(40-29)28(36)33-23-21-19-14-12-10-8-2/h7-24H2,1-6H3,(H,33,36)(H2,34,35,38)