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

Systemtic Name: O4-tert-butyl O2-(phenylmethyl) 3-methyl-5-(tetradecylcarbamoylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-benzyl O4-tert-butyl 3-methyl-5-(tetradecylcarbamoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[oxo-(tetradecylamino)methyl]amino]thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 4-O-tert-butyl 3-methyl-5-(tetradecylcarbamoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(myristylcarbamoylamino)thiophene-2,4-dicarboxylic acid O2-benzyl ester O4-tert-butyl ester Formula: C33H50N2O5S MolecularWeight: 586.8255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H50N2O5S/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-34-32(38)35-29-27(30(36)40-33(3,4)5)25(2)28(41-29)31(37)39-24-26-21-18-17-19-22-26/h17-19,21-22H,6-16,20,23-24H2,1-5H3,(H2,34,35,38)