[(Z)-[1-cyano-2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-[1-cyano-2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[1-cyano-2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethylidene]amino] ester IUPAC Name: [(Z)-[1-cyano-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethylidene]amino] ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C(=O)NCC2CCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C#N)\C(=O)NC[C@H]2CCCO2

InChI

InChI=1S/C15H17N3O5S/c1-11-4-6-13(7-5-11)24(20,21)23-18-14(9-16)15(19)17-10-12-3-2-8-22-12/h4-7,12H,2-3,8,10H2,1H3,(H,17,19)/b18-14-/t12-/m1/s1