methyl 3-[2-azanylethylsulfanyl(phenyl)methyl]benzoate

Systemtic Name: methyl 3-[2-azanylethylsulfanyl(phenyl)methyl]benzoate Openeye Name: methyl 3-[2-aminoethylsulfanyl(phenyl)methyl]benzoate CAS Name: 3-[(2-aminoethylthio)-phenylmethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-aminoethylsulfanyl(phenyl)methyl]benzoate Traditional Name: 3-[(2-aminoethylthio)-phenyl-methyl]benzoic acid methyl ester Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C(C2=CC=CC=C2)SCCN

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C(C2=CC=CC=C2)SCCN

InChI

InChI=1S/C17H19NO2S/c1-20-17(19)15-9-5-8-14(12-15)16(21-11-10-18)13-6-3-2-4-7-13/h2-9,12,16H,10-11,18H2,1H3