methyl (3aS,8bS)-6-bromanyl-1-cyano-8b-(3-methylbut-2-enyl)-2-oxidanylidene-1,3a-dihydrofuro[2,3-b]indole-4-carboxylate

Systemtic Name: methyl (3aS,8bS)-6-bromanyl-1-cyano-8b-(3-methylbut-2-enyl)-2-oxidanylidene-1,3a-dihydrofuro[2,3-b]indole-4-carboxylate Openeye Name: methyl (3aS,8bS)-6-bromo-1-cyano-8b-(3-methylbut-2-enyl)-2-oxo-1,3a-dihydrofuro[2,3-b]indole-4-carboxylate CAS Name: (3aS,8bS)-6-bromo-1-cyano-8b-(3-methylbut-2-enyl)-2-oxo-1,3a-dihydrofuro[2,3-b]indole-4-carboxylic acid methyl ester IUPAC Name: methyl (3aS,8bS)-6-bromo-1-cyano-8b-(3-methylbut-2-enyl)-2-oxo-1,3a-dihydrofuro[2,3-b]indole-4-carboxylate Traditional Name: (3aS,8bS)-6-bromo-1-cyano-2-keto-8b-(3-methylbut-2-enyl)-1,3a-dihydrofur[2,3-b]indole-4-carboxylic acid methyl ester Formula: C18H17BrN2O4 MolecularWeight: 405.24258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC12C(C(=O)OC1N(C3=C2C=CC(=C3)Br)C(=O)OC)C#N)C

Isomeric SMILES

CC(=CC[C@@]12[C@@H](N(C3=C1C=CC(=C3)Br)C(=O)OC)OC(=O)C2C#N)C

InChI

InChI=1S/C18H17BrN2O4/c1-10(2)6-7-18-12-5-4-11(19)8-14(12)21(17(23)24-3)16(18)25-15(22)13(18)9-20/h4-6,8,13,16H,7H2,1-3H3/t13?,16-,18+/m0/s1