O2-methyl O4-propyl 5-(1-adamantylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-methyl O4-propyl 5-(1-adamantylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 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-methyl ester O4-propyl ester IUPAC Name: 2-O-methyl 4-O-propyl 5-(adamantane-1-carbonylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(adamantane-1-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-4-5-28-19(24)16-12(2)17(20(25)27-3)29-18(16)23-21(26)22-9-13-6-14(10-22)8-15(7-13)11-22/h13-15H,4-11H2,1-3H3,(H,23,26)