[(4-cyanophenyl)-methoxycarbonylsulfanyl-methyl-azaniumyl]methanoate

Systemtic Name: [(4-cyanophenyl)-methoxycarbonylsulfanyl-methyl-azaniumyl]methanoate Openeye Name: [(4-cyanophenyl)-methoxycarbonylsulfanyl-methyl-ammonio]formate CAS Name: [(4-cyanophenyl)-(methoxycarbonylthio)-methylammonio]formate IUPAC Name: [(4-cyanophenyl)-methoxycarbonylsulfanyl-methylazaniumyl]formate Traditional Name: [(carbomethoxythio)-(4-cyanophenyl)-methyl-ammonio]formate Formula: C11H10N2O4S MolecularWeight: 266.2731

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=CC=C(C=C1)C#N)(C(=O)[O-])SC(=O)OC

Isomeric SMILES

C[N+](C1=CC=C(C=C1)C#N)(C(=O)[O-])SC(=O)OC

InChI

InChI=1S/C11H10N2O4S/c1-13(10(14)15,18-11(16)17-2)9-5-3-8(7-12)4-6-9/h3-6H,1-2H3