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

Systemtic Name: [(Z)-[1-cyano-2-(2-methoxyethylamino)-2-oxidanylidene-ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[1-cyano-2-(2-methoxyethylamino)-2-oxo-ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]amino] ester IUPAC Name: [(Z)-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-keto-2-(2-methoxyethylamino)ethylidene]amino] ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5S/c1-10-3-5-11(6-4-10)22(18,19)21-16-12(9-14)13(17)15-7-8-20-2/h3-6H,7-8H2,1-2H3,(H,15,17)/b16-12-