5-[(E)-2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)ethenyl]pyrazine-2-carboxylic acid

Systemtic Name: 5-[(E)-2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)ethenyl]pyrazine-2-carboxylic acid Openeye Name: 5-[(E)-2-(2-benzyloxy-5-methylsulfanyl-phenyl)vinyl]pyrazine-2-carboxylic acid CAS Name: 5-[(E)-2-[5-(methylthio)-2-phenylmethoxyphenyl]ethenyl]-2-pyrazinecarboxylic acid IUPAC Name: 5-[(E)-2-(5-methylsulfanyl-2-phenylmethoxyphenyl)ethenyl]pyrazine-2-carboxylic acid Traditional Name: 5-[(E)-2-[2-benzoxy-5-(methylthio)phenyl]vinyl]pyrazinoic acid Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)C=CC3=CN=C(C=N3)C(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)/C=C/C3=CN=C(C=N3)C(=O)O

InChI

InChI=1S/C21H18N2O3S/c1-27-18-9-10-20(26-14-15-5-3-2-4-6-15)16(11-18)7-8-17-12-23-19(13-22-17)21(24)25/h2-13H,14H2,1H3,(H,24,25)/b8-7+