methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-thiomorpholin-4-yl-2H-pyrrol-4-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-thiomorpholin-4-yl-2H-pyrrol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-thiomorpholino-2H-pyrrol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-thiomorpholin-4-yl-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-thiomorpholin-4-yl-2H-pyrrol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-thiomorpholino-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)N4CCSCC4

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)N4CCSCC4

InChI

InChI=1S/C25H28N4O3S/c1-32-22(30)11-4-17-2-5-18(6-3-17)23-21(28-12-14-33-15-13-28)16-29(25(23)31)20-9-7-19(8-10-20)24(26)27/h2-3,5-10H,4,11-16H2,1H3,(H3,26,27)