O2-tert-butyl O4-ethyl 5-(1-adamantylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-(1-adamantylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-(adamantane-1-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[1-adamantyl(oxo)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-(adamantane-1-carbonylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(adamantane-1-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C24H33NO5S MolecularWeight: 447.58752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33NO5S/c1-6-29-20(26)17-13(2)18(21(27)30-23(3,4)5)31-19(17)25-22(28)24-10-14-7-15(11-24)9-16(8-14)12-24/h14-16H,6-12H2,1-5H3,(H,25,28)