ethyl 2-[2-[[3-(3,4-dimethylphenyl)-1-adamantyl]carbonyloxy]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[3-(3,4-dimethylphenyl)-1-adamantyl]carbonyloxy]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]oxyacetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[3-(3,4-dimethylphenyl)-1-adamantyl]-oxomethoxy]-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]oxyacetyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H39NO5S MolecularWeight: 537.71006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC(=C(C=C5)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C31H39NO5S/c1-6-36-28(34)24-11-25(18(2)3)38-27(24)32-26(33)16-37-29(35)31-14-21-10-22(15-31)13-30(12-21,17-31)23-8-7-19(4)20(5)9-23/h7-9,11,18,21-22H,6,10,12-17H2,1-5H3,(H,32,33)