O4-tert-butyl O2-(phenylmethyl) 5-(dodecylcarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-(phenylmethyl) 5-(dodecylcarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-benzyl O4-tert-butyl 5-(dodecylcarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(dodecylamino)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 4-O-tert-butyl 5-(dodecylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(laurylcarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O2-benzyl ester O4-tert-butyl ester Formula: C31H46N2O5S MolecularWeight: 558.77234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC=C2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC=C2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H46N2O5S/c1-6-7-8-9-10-11-12-13-14-18-21-32-30(36)33-27-25(28(34)38-31(3,4)5)23(2)26(39-27)29(35)37-22-24-19-16-15-17-20-24/h15-17,19-20H,6-14,18,21-22H2,1-5H3,(H2,32,33,36)