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

Systemtic Name: O4-tert-butyl O2-(phenylmethyl) 5-(hexadecylcarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-benzyl O4-tert-butyl 5-(hexadecylcarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(hexadecylamino)-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-(hexadecylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(cetylcarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O2-benzyl ester O4-tert-butyl ester Formula: C35H54N2O5S MolecularWeight: 614.87866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H54N2O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-36-34(40)37-31-29(32(38)42-35(3,4)5)27(2)30(43-31)33(39)41-26-28-23-20-19-21-24-28/h19-21,23-24H,6-18,22,25-26H2,1-5H3,(H2,36,37,40)