methyl 4-azanyl-3-methoxy-5-(methylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-azanyl-3-methoxy-5-(methylsulfanylmethyl)benzoate Openeye Name: methyl 4-amino-3-methoxy-5-(methylsulfanylmethyl)benzoate CAS Name: 4-amino-3-methoxy-5-[(methylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-methoxy-5-(methylsulfanylmethyl)benzoate Traditional Name: 4-amino-3-methoxy-5-[(methylthio)methyl]benzoic acid methyl ester Formula: C11H15NO3S MolecularWeight: 241.3067

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1N)CSC)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1N)CSC)C(=O)OC

InChI

InChI=1S/C11H15NO3S/c1-14-9-5-7(11(13)15-2)4-8(6-16-3)10(9)12/h4-5H,6,12H2,1-3H3