[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C18H21N3O6S/c1-12-3-4-14(28(24,25)21-5-7-26-8-6-21)9-15(12)18(23)27-11-17(22)16(10-19)13(2)20/h3-4,9H,5-8,11,20H2,1-2H3/b16-13+