(phenylmethyl) 2-[[(E)-aminomethylsulfanylmethylidenecarbamoyl]oxymethyl]benzoate

Systemtic Name: (phenylmethyl) 2-[[(E)-aminomethylsulfanylmethylidenecarbamoyl]oxymethyl]benzoate Openeye Name: benzyl 2-[[(E)-aminomethylsulfanylmethylenecarbamoyl]oxymethyl]benzoate CAS Name: 2-[[[(E)-(aminomethylthio)methylideneamino]-oxomethoxy]methyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(E)-aminomethylsulfanylmethylidenecarbamoyl]oxymethyl]benzoate Traditional Name: 2-[[(E)-(aminomethylthio)methylenecarbamoyl]oxymethyl]benzoic acid benzyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2COC(=O)N=CSCN

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2COC(=O)/N=C/SCN

InChI

InChI=1S/C18H18N2O4S/c19-12-25-13-20-18(22)24-11-15-8-4-5-9-16(15)17(21)23-10-14-6-2-1-3-7-14/h1-9,13H,10-12,19H2/b20-13+