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4-methoxy-2-(methylsulfanylmethyl)-3-(pentylamino)benzoic acid

4-methoxy-2-(methylsulfanylmethyl)-3-(pentylamino)benzoic acid

Systemtic Name:4-methoxy-2-(methylsulfanylmethyl)-3-(pentylamino)benzoic acid
Openeye Name:4-methoxy-2-(methylsulfanylmethyl)-3-(pentylamino)benzoic acid
CAS Name:4-methoxy-2-[(methylthio)methyl]-3-(pentylamino)benzoic acid
IUPAC Name:4-methoxy-2-(methylsulfanylmethyl)-3-(pentylamino)benzoic acid
Traditional Name:3-(amylamino)-4-methoxy-2-[(methylthio)methyl]benzoic acid
Formula: C15H23NO3S
MolecularWeight: 297.41302
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=CC(=C1CSC)C(=O)O)OC


Isomeric SMILES

CCCCCNC1=C(C=CC(=C1CSC)C(=O)O)OC


InChI

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


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