(4-methylsulfanylphenyl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [4-(methylthio)benzyl] ester Formula: C16H16ClNO3S MolecularWeight: 337.82114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=CC=C(C=C2)SC)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=CC=C(C=C2)SC)Cl)N

InChI

InChI=1S/C16H16ClNO3S/c1-20-15-8-14(18)13(17)7-12(15)16(19)21-9-10-3-5-11(22-2)6-4-10/h3-8H,9,18H2,1-2H3