methyl 4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-4-sulfinyl-butanoate

Systemtic Name: methyl 4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-4-sulfinyl-butanoate Openeye Name: methyl 4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]-4-sulfinyl-butanoate CAS Name: 4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]-4-sulfinylbutanoic acid methyl ester IUPAC Name: methyl 4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]-4-sulfinylbutanoate Traditional Name: 4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]-4-sulfinyl-butyric acid methyl ester Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=S=O)N1CCN(C1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

COC(=O)CCC(=S=O)N1CCN(C1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C15H18N4O4S/c1-23-13(20)7-6-12(24-22)19-9-8-18(15(19)21)11-4-2-10(3-5-11)14(16)17/h2-5H,6-9H2,1H3,(H3,16,17)