[4-[(Z)-cyano-[(5Z)-5-methylsulfonyloxyiminothiophen-2-ylidene]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[(Z)-cyano-[(5Z)-5-methylsulfonyloxyiminothiophen-2-ylidene]methyl]phenyl] methanesulfonate Openeye Name: [4-[(Z)-cyano-[(5Z)-5-methylsulfonyloxyimino-2-thienylidene]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(Z)-cyano-[(5Z)-5-methylsulfonyloxyimino-2-thiophenylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-cyano-[(5Z)-5-methylsulfonyloxyiminothiophen-2-ylidene]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(Z)-cyano-[(5Z)-5-mesyloximino-2-thienylidene]methyl]phenyl] ester Formula: C14H12N2O6S3 MolecularWeight: 400.44988

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)C(=C2C=CC(=NOS(=O)(=O)C)S2)C#N

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)/C(=C/2\C=C/C(=N/OS(=O)(=O)C)/S2)/C#N

InChI

InChI=1S/C14H12N2O6S3/c1-24(17,18)21-11-5-3-10(4-6-11)12(9-15)13-7-8-14(23-13)16-22-25(2,19)20/h3-8H,1-2H3/b13-12+,16-14-