ethyl 3-[bis(azanyl)methylsulfanylmethyl]benzoate

Systemtic Name: ethyl 3-[bis(azanyl)methylsulfanylmethyl]benzoate Openeye Name: ethyl 3-(diaminomethylsulfanylmethyl)benzoate CAS Name: 3-[(diaminomethylthio)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-(diaminomethylsulfanylmethyl)benzoate Traditional Name: 3-[(diaminomethylthio)methyl]benzoic acid ethyl ester Formula: C11H16N2O2S MolecularWeight: 240.32194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CSC(N)N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CSC(N)N

InChI

InChI=1S/C11H16N2O2S/c1-2-15-10(14)9-5-3-4-8(6-9)7-16-11(12)13/h3-6,11H,2,7,12-13H2,1H3