methyl 4-(2-azanylethylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(2-azanylethylsulfanylmethyl)benzoate Openeye Name: methyl 4-(2-aminoethylsulfanylmethyl)benzoate CAS Name: 4-[(2-aminoethylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(2-aminoethylsulfanylmethyl)benzoate Traditional Name: 4-[(2-aminoethylthio)methyl]benzoic acid methyl ester Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSCCN

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSCCN

InChI

InChI=1S/C11H15NO2S/c1-14-11(13)10-4-2-9(3-5-10)8-15-7-6-12/h2-5H,6-8,12H2,1H3