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

Systemtic Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]sulfanylacetic acid CAS Name: 2-[[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]thio]acetic acid IUPAC Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]sulfanylacetic acid Traditional Name: 2-[[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]thio]acetic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

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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)SCC(=O)O

Isomeric SMILES

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)SCC(=O)O

InChI

InChI=1S/C20H19N3O4S/c1-27-16-10-23(14-6-2-13(3-7-14)19(21)22)20(26)18(16)12-4-8-15(9-5-12)28-11-17(24)25/h2-9H,10-11H2,1H3,(H3,21,22)(H,24,25)