O4-tert-butyl O2-octyl 3-methyl-5-(octylcarbamoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-octyl 3-methyl-5-(octylcarbamoylamino)thiophene-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-octyl 3-methyl-5-(octylcarbamoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(octylamino)-oxomethyl]amino]thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-octyl ester IUPAC Name: 4-O-tert-butyl 2-O-octyl 3-methyl-5-(octylcarbamoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(octylcarbamoylamino)thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-octyl ester Formula: C28H48N2O5S MolecularWeight: 524.75612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)OCCCCCCCC)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)OCCCCCCCC)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H48N2O5S/c1-7-9-11-13-15-17-19-29-27(33)30-24-22(25(31)35-28(4,5)6)21(3)23(36-24)26(32)34-20-18-16-14-12-10-8-2/h7-20H2,1-6H3,(H2,29,30,33)