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

Systemtic Name: methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]ethanoate Openeye Name: methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate CAS Name: 2-[3-[(carbamimidoylthio)methyl]-4-propoxyphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxyphenyl]acetate Traditional Name: 2-[3-[(amidinothio)methyl]-4-propoxy-phenyl]acetic acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC(=O)OC)CSC(=N)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC(=O)OC)CSC(=N)N

InChI

InChI=1S/C14H20N2O3S/c1-3-6-19-12-5-4-10(8-13(17)18-2)7-11(12)9-20-14(15)16/h4-5,7H,3,6,8-9H2,1-2H3,(H3,15,16)