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

Systemtic Name: ethyl 2-[2-(1-adamantylcarbonyloxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(oxo)methoxy]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-6-methyl-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=C1CCC(C2)C)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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