methyl 4-azanyl-3-[phenyl(phenylsulfanyl)methyl]benzoate

Systemtic Name: methyl 4-azanyl-3-[phenyl(phenylsulfanyl)methyl]benzoate Openeye Name: methyl 4-amino-3-[phenyl(phenylsulfanyl)methyl]benzoate CAS Name: 4-amino-3-[phenyl-(phenylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-[phenyl(phenylsulfanyl)methyl]benzoate Traditional Name: 4-amino-3-[phenyl-(phenylthio)methyl]benzoic acid methyl ester Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N)C(C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H19NO2S/c1-24-21(23)16-12-13-19(22)18(14-16)20(15-8-4-2-5-9-15)25-17-10-6-3-7-11-17/h2-14,20H,22H2,1H3