O4-ethyl O2-methyl 5-[2-(1-adamantyl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 5-[2-(1-adamantyl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 5-[[2-(1-adamantyl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 5-[[2-(1-adamantyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(1-adamantyl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

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