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

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[[(3R,5S)-3,5-dimethyl-1-adamantyl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 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-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 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-isopropyl ester Formula: C25H35NO5S MolecularWeight: 461.6141

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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)C)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)C)C

InChI

InChI=1S/C25H35NO5S/c1-7-30-21(28)18-15(4)17(20(27)31-14(2)3)19(32-18)26-22(29)25-10-16-8-23(5,12-25)11-24(6,9-16)13-25/h14,16H,7-13H2,1-6H3,(H,26,29)/t16?,23-,24+,25?