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

Systemtic Name: propan-2-yl (6R)-2-(1-adamantylcarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl (6R)-2-(adamantane-1-carbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[1-adamantyl(oxo)methyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6R)-2-(adamantane-1-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-(adamantane-1-carbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C24H33NO3S MolecularWeight: 415.58872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33NO3S/c1-13(2)28-22(26)20-18-5-4-14(3)6-19(18)29-21(20)25-23(27)24-10-15-7-16(11-24)9-17(8-15)12-24/h13-17H,4-12H2,1-3H3,(H,25,27)/t14-,15?,16?,17?,24?/m1/s1