methyl 2-(1-adamantylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(adamantane-1-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3S/c1-25-19(23)17-15-4-2-3-5-16(15)26-18(17)22-20(24)21-9-12-6-13(10-21)8-14(7-12)11-21/h12-14H,2-11H2,1H3,(H,22,24)