methyl 2-[4-butoxy-3-(carbamimidoylsulfanylmethyl)phenyl]ethanoate

Systemtic Name: methyl 2-[4-butoxy-3-(carbamimidoylsulfanylmethyl)phenyl]ethanoate Openeye Name: methyl 2-[4-butoxy-3-(carbamimidoylsulfanylmethyl)phenyl]acetate CAS Name: 2-[4-butoxy-3-[(carbamimidoylthio)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-butoxy-3-(carbamimidoylsulfanylmethyl)phenyl]acetate Traditional Name: 2-[3-[(amidinothio)methyl]-4-butoxy-phenyl]acetic acid methyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CC(=O)OC)CSC(=N)N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CC(=O)OC)CSC(=N)N

InChI

InChI=1S/C15H22N2O3S/c1-3-4-7-20-13-6-5-11(9-14(18)19-2)8-12(13)10-21-15(16)17/h5-6,8H,3-4,7,9-10H2,1-2H3,(H3,16,17)