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

Systemtic Name: methyl (6S)-2-(1-adamantylcarbonylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-(adamantane-1-carbonylamino)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[1-adamantyl(oxo)methyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-2-(adamantane-1-carbonylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-(adamantane-1-carbonylamino)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H35NO3S MolecularWeight: 429.6153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO3S/c1-24(2,3)17-5-6-18-19(10-17)30-21(20(18)22(27)29-4)26-23(28)25-11-14-7-15(12-25)9-16(8-14)13-25/h14-17H,5-13H2,1-4H3,(H,26,28)/t14?,15?,16?,17-,25?/m0/s1