methyl 5-(carbamimidoylsulfanylmethyl)-2-(3-methylbutoxy)benzoate hydrochloride

Systemtic Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-(3-methylbutoxy)benzoate hydrochloride Openeye Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-isopentyloxy-benzoate hydrochloride CAS Name: 5-[(carbamimidoylthio)methyl]-2-(3-methylbutoxy)benzoic acid methyl ester hydrochloride IUPAC Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-(3-methylbutoxy)benzoate hydrochloride Traditional Name: 5-[(amidinothio)methyl]-2-isoamoxy-benzoic acid methyl ester hydrochloride Formula: C15H23ClN2O3S MolecularWeight: 346.87272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)CSC(=N)N)C(=O)OC.Cl

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)CSC(=N)N)C(=O)OC.Cl

InChI

InChI=1S/C15H22N2O3S.ClH/c1-10(2)6-7-20-13-5-4-11(9-21-15(16)17)8-12(13)14(18)19-3;/h4-5,8,10H,6-7,9H2,1-3H3,(H3,16,17);1H