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

Systemtic Name: tert-butyl 4-methyl-5-(octylcarbamoyl)-2-(tetradecylcarbamoylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 4-methyl-5-(octylcarbamoyl)-2-(tetradecylcarbamoylamino)thiophene-3-carboxylate CAS Name: 4-methyl-5-[(octylamino)-oxomethyl]-2-[[oxo-(tetradecylamino)methyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-5-(octylcarbamoyl)-2-(tetradecylcarbamoylamino)thiophene-3-carboxylate Traditional Name: 4-methyl-2-(myristylcarbamoylamino)-5-(octylcarbamoyl)thiophene-3-carboxylic acid tert-butyl ester Formula: C34H61N3O4S MolecularWeight: 607.93084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H61N3O4S/c1-7-9-11-13-15-16-17-18-19-20-22-24-26-36-33(40)37-31-28(32(39)41-34(4,5)6)27(3)29(42-31)30(38)35-25-23-21-14-12-10-8-2/h7-26H2,1-6H3,(H,35,38)(H2,36,37,40)