[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C14H17N3O4S/c1-8(16)11(4-15)13(18)5-20-14(19)7-22-6-12-9(2)17-21-10(12)3/h5-7,16H2,1-3H3/b11-8+