dimethyl 5-(1-adamantylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-(1-adamantylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(adamantane-1-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[1-adamantyl(oxo)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(adamantane-1-carbonylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(adamantane-1-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C20H25NO5S/c1-10-14(17(22)25-2)16(27-15(10)18(23)26-3)21-19(24)20-7-11-4-12(8-20)6-13(5-11)9-20/h11-13H,4-9H2,1-3H3,(H,21,24)