[(Z)-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[1-cyano-2-(3-methoxypropylamino)-2-oxo-ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]amino] ester IUPAC Name: [(Z)-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-keto-2-(3-methoxypropylamino)ethylidene]amino] ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C(=O)NCCCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C#N)\C(=O)NCCCOC

InChI

InChI=1S/C14H17N3O5S/c1-11-4-6-12(7-5-11)23(19,20)22-17-13(10-15)14(18)16-8-3-9-21-2/h4-7H,3,8-9H2,1-2H3,(H,16,18)/b17-13-