methyl 4-[(2-azanyl-4-methyl-phenyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(2-azanyl-4-methyl-phenyl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(2-amino-4-methyl-phenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(2-amino-4-methylphenyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-amino-4-methylphenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(2-amino-4-methyl-phenyl)thio]methyl]benzoic acid methyl ester Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=C(C=C2)C(=O)OC)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=C(C=C2)C(=O)OC)N

InChI

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