methyl 3-[4-[3-(4-carbamimidoyl-2-methylsulfinyl-phenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoyl-2-methylsulfinyl-phenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoyl-2-methylsulfinyl-phenyl)-2-oxo-imidazolidin-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoyl-2-methylsulfinylphenyl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoyl-2-methylsulfinylphenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-amidino-2-methylsulfinyl-phenyl)-2-keto-imidazolidin-1-yl]phenyl]propionic acid methyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=O)C3=C(C=C(C=C3)C(=N)N)S(=O)C

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=O)C3=C(C=C(C=C3)C(=N)N)S(=O)C

InChI

InChI=1S/C21H24N4O4S/c1-29-19(26)10-5-14-3-7-16(8-4-14)24-11-12-25(21(24)27)17-9-6-15(20(22)23)13-18(17)30(2)28/h3-4,6-9,13H,5,10-12H2,1-2H3,(H3,22,23)