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

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

Systemtic Name:methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-methoxy-phenyl]ethanoate
Openeye Name:methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-methoxy-phenyl]acetate
CAS Name:2-[3-[(carbamimidoylthio)methyl]-4-methoxyphenyl]acetic acid methyl ester
IUPAC Name:methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-methoxyphenyl]acetate
Traditional Name:2-[3-[(amidinothio)methyl]-4-methoxy-phenyl]acetic acid methyl ester
Formula: C12H16N2O3S
MolecularWeight: 268.33204
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OC)CSC(=N)N


Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OC)CSC(=N)N


InChI

InChI=1S/C12H16N2O3S/c1-16-10-4-3-8(6-11(15)17-2)5-9(10)7-18-12(13)14/h3-5H,6-7H2,1-2H3,(H3,13,14)


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