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

Systemtic Name: O2-ethyl O4-methyl 5-(1-adamantylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-(adamantane-1-carbonylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(adamantane-1-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC)C

InChI

InChI=1S/C21H27NO5S/c1-4-27-19(24)16-11(2)15(18(23)26-3)17(28-16)22-20(25)21-8-12-5-13(9-21)7-14(6-12)10-21/h12-14H,4-10H2,1-3H3,(H,22,25)