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

Systemtic Name: O4-tert-butyl O2-(phenylmethyl) 3-methyl-5-(octylcarbamoylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-benzyl O4-tert-butyl 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-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 4-O-tert-butyl 3-methyl-5-(octylcarbamoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(octylcarbamoylamino)thiophene-2,4-dicarboxylic acid O2-benzyl ester O4-tert-butyl ester Formula: C27H38N2O5S MolecularWeight: 502.66602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O5S/c1-6-7-8-9-10-14-17-28-26(32)29-23-21(24(30)34-27(3,4)5)19(2)22(35-23)25(31)33-18-20-15-12-11-13-16-20/h11-13,15-16H,6-10,14,17-18H2,1-5H3,(H2,28,29,32)