pentyl 3-azanyl-4-methoxy-2-(methylsulfanylmethyl)benzoate

Systemtic Name: pentyl 3-azanyl-4-methoxy-2-(methylsulfanylmethyl)benzoate Openeye Name: pentyl 3-amino-4-methoxy-2-(methylsulfanylmethyl)benzoate CAS Name: 3-amino-4-methoxy-2-[(methylthio)methyl]benzoic acid pentyl ester IUPAC Name: pentyl 3-amino-4-methoxy-2-(methylsulfanylmethyl)benzoate Traditional Name: 3-amino-4-methoxy-2-[(methylthio)methyl]benzoic acid amyl ester Formula: C15H23NO3S MolecularWeight: 297.41302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C(=C(C=C1)OC)N)CSC

Isomeric SMILES

CCCCCOC(=O)C1=C(C(=C(C=C1)OC)N)CSC

InChI

InChI=1S/C15H23NO3S/c1-4-5-6-9-19-15(17)11-7-8-13(18-2)14(16)12(11)10-20-3/h7-8H,4-6,9-10,16H2,1-3H3