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

Systemtic Name: O2-ethyl O4-methyl 5-[2-(1-adamantyl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-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 O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-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 O2-ethyl ester O4-methyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC)C

InChI

InChI=1S/C22H29NO5S/c1-4-28-21(26)18-12(2)17(20(25)27-3)19(29-18)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)