[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-[(2S)-2-methylindolin-1-yl]sulfonylbenzoate CAS Name: 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate Traditional Name: 3-[(2S)-2-methylindolin-1-yl]sulfonylbenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C22H21N3O5S/c1-14-10-16-6-3-4-9-20(16)25(14)31(28,29)18-8-5-7-17(11-18)22(27)30-13-21(26)19(12-23)15(2)24/h3-9,11,14H,10,13,24H2,1-2H3/b19-15+/t14-/m0/s1