propan-2-yl 2-[(E)-cyano-[(5E)-5-propylsulfonyloxyiminothiophen-2-ylidene]methyl]benzoate

Systemtic Name: propan-2-yl 2-[(E)-cyano-[(5E)-5-propylsulfonyloxyiminothiophen-2-ylidene]methyl]benzoate Openeye Name: isopropyl 2-[(E)-cyano-[(5E)-5-propylsulfonyloxyimino-2-thienylidene]methyl]benzoate CAS Name: 2-[(E)-cyano-[(5E)-5-propylsulfonyloxyimino-2-thiophenylidene]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(E)-cyano-[(5E)-5-propylsulfonyloxyiminothiophen-2-ylidene]methyl]benzoate Traditional Name: 2-[(E)-cyano-[(5E)-5-propylsulfonyloximino-2-thienylidene]methyl]benzoic acid isopropyl ester Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)ON=C1C=CC(=C(C#N)C2=CC=CC=C2C(=O)OC(C)C)S1

Isomeric SMILES

CCCS(=O)(=O)O/N=C/1\C=C/C(=C(\C#N)/C2=CC=CC=C2C(=O)OC(C)C)/S1

InChI

InChI=1S/C19H20N2O5S2/c1-4-11-28(23,24)26-21-18-10-9-17(27-18)16(12-20)14-7-5-6-8-15(14)19(22)25-13(2)3/h5-10,13H,4,11H2,1-3H3/b17-16-,21-18+