[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-ethylsulfinylbenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-ethylsulfinylbenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-ethylsulfinylbenzoate CAS Name: 2-ethylsulfinylbenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-ethylsulfinylbenzoate Traditional Name: 2-ethylsulfinylbenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C15H16N2O4S/c1-3-22(20)14-7-5-4-6-11(14)15(19)21-9-13(18)12(8-16)10(2)17/h4-7H,3,9,17H2,1-2H3/b12-10+