5-cyano-2-[[5-[3-(2-methoxyethoxy)propylsulfanyl]pyrazin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 5-cyano-2-[[5-[3-(2-methoxyethoxy)propylsulfanyl]pyrazin-2-yl]carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[[5-[3-(2-methoxyethoxy)propylsulfanyl]pyrazine-2-carbonyl]amino]benzoic acid CAS Name: 5-cyano-2-[[[5-[3-(2-methoxyethoxy)propylthio]-2-pyrazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[[5-[3-(2-methoxyethoxy)propylsulfanyl]pyrazine-2-carbonyl]amino]benzoic acid Traditional Name: 5-cyano-2-[[5-[3-(2-methoxyethoxy)propylthio]pyrazinoyl]amino]benzoic acid Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCCCSC1=NC=C(N=C1)C(=O)NC2=C(C=C(C=C2)C#N)C(=O)O

Isomeric SMILES

COCCOCCCSC1=NC=C(N=C1)C(=O)NC2=C(C=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C19H20N4O5S/c1-27-6-7-28-5-2-8-29-17-12-21-16(11-22-17)18(24)23-15-4-3-13(10-20)9-14(15)19(25)26/h3-4,9,11-12H,2,5-8H2,1H3,(H,23,24)(H,25,26)