(2-sulfanylidenepyridin-1-yl) (2S,3aR,8bR)-3-ethanoyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-2-carboxylate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) (2S,3aR,8bR)-3-ethanoyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-2-carboxylate Openeye Name: (2-thioxo-1-pyridyl) (2S,3aR,8bR)-3-acetyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-2-carboxylate CAS Name: (2S,3aR,8bR)-3-acetyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-2-carboxylic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) (2S,3aR,8bR)-3-acetyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-2-carboxylate Traditional Name: (2S,3aR,8bR)-3-acetyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrol[2,3-b]indole-2-carboxylic acid (2-thioxo-1-pyridyl) ester Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC12CC(N(C1N(C3=CC=CC=C23)CC=C(C)C)C(=O)C)C(=O)ON4C=CC=CC4=S)C

Isomeric SMILES

CC(=CC[C@]12C[C@H](N([C@H]1N(C3=CC=CC=C23)CC=C(C)C)C(=O)C)C(=O)ON4C=CC=CC4=S)C

InChI

InChI=1S/C28H33N3O3S/c1-19(2)13-15-28-18-24(26(33)34-30-16-9-8-12-25(30)35)31(21(5)32)27(28)29(17-14-20(3)4)23-11-7-6-10-22(23)28/h6-14,16,24,27H,15,17-18H2,1-5H3/t24-,27+,28+/m0/s1