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

Systemtic Name: methyl (6R)-2-(1-adamantylcarbonylamino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-2-(adamantane-1-carbonylamino)-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[1-adamantyl(oxo)methyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-(adamantane-1-carbonylamino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-(adamantane-1-carbonylamino)-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H31NO3S MolecularWeight: 449.60494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=C(SC2=C1CC[C@H](C2)C3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H31NO3S/c1-31-25(29)23-21-8-7-20(19-5-3-2-4-6-19)12-22(21)32-24(23)28-26(30)27-13-16-9-17(14-27)11-18(10-16)15-27/h2-6,16-18,20H,7-15H2,1H3,(H,28,30)/t16?,17?,18?,20-,27?/m1/s1