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

Systemtic Name: O4-tert-butyl O2-(phenylmethyl) 3-methyl-5-(octan-2-ylcarbamoylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-benzyl O4-tert-butyl 3-methyl-5-(1-methylheptylcarbamoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(octan-2-ylamino)-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-(octan-2-ylcarbamoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(1-methylheptylcarbamoylamino)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:

CCCCCCC(C)NC(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC=C2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCC(C)NC(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC=C2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H38N2O5S/c1-7-8-9-11-14-18(2)28-26(32)29-23-21(24(30)34-27(4,5)6)19(3)22(35-23)25(31)33-17-20-15-12-10-13-16-20/h10,12-13,15-16,18H,7-9,11,14,17H2,1-6H3,(H2,28,29,32)