ethyl 2-[2-(1-adamantylcarbonyloxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantylcarbonyloxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(adamantane-1-carbonyloxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(oxo)methoxy]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(adamantane-1-carbonyloxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(adamantane-1-carbonyloxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33NO5S/c1-3-30-23(28)20-18-6-4-5-7-19(18)32-22(20)26-21(27)14(2)31-24(29)25-11-15-8-16(12-25)10-17(9-15)13-25/h14-17H,3-13H2,1-2H3,(H,26,27)