tert-butyl 5-(dibutylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylate

Systemtic Name: tert-butyl 5-(dibutylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-(dibutylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylate CAS Name: 5-[(dibutylamino)-oxomethyl]-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(dibutylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylate Traditional Name: 5-(dibutylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C28H49N3O4S MolecularWeight: 523.77136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N(CCCC)CCCC)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N(CCCC)CCCC)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H49N3O4S/c1-8-11-14-15-16-17-18-29-27(34)30-24-22(26(33)35-28(5,6)7)21(4)23(36-24)25(32)31(19-12-9-2)20-13-10-3/h8-20H2,1-7H3,(H2,29,30,34)