sulfanyl 4-methyl-3-(methylamino)-2-(phenylmethyl)benzoate

Systemtic Name: sulfanyl 4-methyl-3-(methylamino)-2-(phenylmethyl)benzoate Openeye Name: sulfanyl 2-benzyl-4-methyl-3-(methylamino)benzoate CAS Name: 4-methyl-3-(methylamino)-2-(phenylmethyl)benzoic acid mercapto ester IUPAC Name: sulfanyl 2-benzyl-4-methyl-3-(methylamino)benzoate Traditional Name: 2-benzyl-4-methyl-3-(methylamino)benzoic acid mercapto ester Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)OS)CC2=CC=CC=C2)NC

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)OS)CC2=CC=CC=C2)NC

InChI

InChI=1S/C16H17NO2S/c1-11-8-9-13(16(18)19-20)14(15(11)17-2)10-12-6-4-3-5-7-12/h3-9,17,20H,10H2,1-2H3