(5S)-5-ethyl-N'-[2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: (5S)-5-ethyl-N'-[2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: (5S)-5-ethyl-N'-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: (5S)-5-ethyl-N'-[2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: (5S)-5-ethyl-N'-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: (5S)-5-ethyl-N'-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C23H32N2O3S/c1-2-14-3-4-18-17(6-14)7-19(29-18)21(27)25-24-20(26)12-22-8-15-5-16(9-22)11-23(28,10-15)13-22/h7,14-16,28H,2-6,8-13H2,1H3,(H,24,26)(H,25,27)/t14-,15-,16+,22?,23?/m0/s1