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methyl 5-(carbamimidoylsulfanylmethyl)-2-propoxy-benzoate

methyl 5-(carbamimidoylsulfanylmethyl)-2-propoxy-benzoate

Systemtic Name:methyl 5-(carbamimidoylsulfanylmethyl)-2-propoxy-benzoate
Openeye Name:methyl 5-(carbamimidoylsulfanylmethyl)-2-propoxy-benzoate
CAS Name:5-[(carbamimidoylthio)methyl]-2-propoxybenzoic acid methyl ester
IUPAC Name:methyl 5-(carbamimidoylsulfanylmethyl)-2-propoxybenzoate
Traditional Name:5-[(amidinothio)methyl]-2-propoxy-benzoic acid methyl ester
Formula: C13H18N2O3S
MolecularWeight: 282.35862
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H18N2O3S/c1-3-6-18-11-5-4-9(8-19-13(14)15)7-10(11)12(16)17-2/h4-5,7H,3,6,8H2,1-2H3,(H3,14,15)


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