methyl 2-[3-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methylsulfanyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methylsulfanyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[3-(4-carbamimidoylphenyl)-2-oxo-oxazolidin-5-yl]methylsulfanyl]phenyl]acetate CAS Name: 2-[3-[[3-(4-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]methylthio]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfanyl]phenyl]acetate Traditional Name: 2-[3-[[3-(4-amidinophenyl)-2-keto-oxazolidin-5-yl]methylthio]phenyl]acetic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)SCC2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)SCC2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H21N3O4S/c1-26-18(24)10-13-3-2-4-17(9-13)28-12-16-11-23(20(25)27-16)15-7-5-14(6-8-15)19(21)22/h2-9,16H,10-12H2,1H3,(H3,21,22)