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

Systemtic Name: pentyl 4-methoxy-2-(methylsulfanylmethyl)-3-(pentylamino)benzoate Openeye Name: pentyl 4-methoxy-2-(methylsulfanylmethyl)-3-(pentylamino)benzoate CAS Name: 4-methoxy-2-[(methylthio)methyl]-3-(pentylamino)benzoic acid pentyl ester IUPAC Name: pentyl 4-methoxy-2-(methylsulfanylmethyl)-3-(pentylamino)benzoate Traditional Name: 3-(amylamino)-4-methoxy-2-[(methylthio)methyl]benzoic acid amyl ester Formula: C20H33NO3S MolecularWeight: 367.54592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO3S/c1-5-7-9-13-21-19-17(15-25-4)16(11-12-18(19)23-3)20(22)24-14-10-8-6-2/h11-12,21H,5-10,13-15H2,1-4H3