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

Systemtic Name: ethyl 2-[(E)-cyano-[(5E)-5-propylsulfonyloxyiminothiophen-2-ylidene]methyl]benzoate Openeye Name: ethyl 2-[(E)-cyano-[(5E)-5-propylsulfonyloxyimino-2-thienylidene]methyl]benzoate CAS Name: 2-[(E)-cyano-[(5E)-5-propylsulfonyloxyimino-2-thiophenylidene]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(E)-cyano-[(5E)-5-propylsulfonyloxyiminothiophen-2-ylidene]methyl]benzoate Traditional Name: 2-[(E)-cyano-[(5E)-5-propylsulfonyloximino-2-thienylidene]methyl]benzoic acid ethyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S2/c1-3-11-27(22,23)25-20-17-10-9-16(26-17)15(12-19)13-7-5-6-8-14(13)18(21)24-4-2/h5-10H,3-4,11H2,1-2H3/b16-15-,20-17+