O2-ethyl O4-methyl 5-[[(3R,5S)-3,5-dimethyl-1-adamantyl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[[(3R,5S)-3,5-dimethyl-1-adamantyl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C23H31NO5S MolecularWeight: 433.56094

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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)C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)C(=O)OC)C

InChI

InChI=1S/C23H31NO5S/c1-6-29-19(26)16-13(2)15(18(25)28-5)17(30-16)24-20(27)23-9-14-7-21(3,11-23)10-22(4,8-14)12-23/h14H,6-12H2,1-5H3,(H,24,27)/t14?,21-,22+,23?