2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]sulfinylethanoic acid hydrochloride

Systemtic Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]sulfinylethanoic acid hydrochloride Openeye Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]sulfinylacetic acid hydrochloride CAS Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]sulfinylacetic acid hydrochloride IUPAC Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]sulfinylacetic acid hydrochloride Traditional Name: 2-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]sulfinylacetic acid hydrochloride Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)S(=O)CC(=O)O.Cl

Isomeric SMILES

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)S(=O)CC(=O)O.Cl

InChI

InChI=1S/C20H19N3O5S.ClH/c1-28-16-10-23(14-6-2-13(3-7-14)19(21)22)20(26)18(16)12-4-8-15(9-5-12)29(27)11-17(24)25;/h2-9H,10-11H2,1H3,(H3,21,22)(H,24,25);1H