[5-(5-methyl-4-oxidanidyl-pyrazin-4-ium-2-yl)carbonylsulfanylpyridin-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [5-(5-methyl-4-oxidanidyl-pyrazin-4-ium-2-yl)carbonylsulfanylpyridin-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [5-(5-methyl-4-oxido-pyrazin-4-ium-2-carbonyl)sulfanyl-2-pyridyl] (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [5-[[(5-methyl-4-oxido-2-pyrazin-4-iumyl)-oxomethyl]thio]-2-pyridinyl] ester IUPAC Name: [5-(5-methyl-4-oxidopyrazin-4-ium-2-carbonyl)sulfanylpyridin-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [5-[(5-methyl-4-oxido-pyrazin-4-ium-2-carbonyl)thio]-2-pyridyl] ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=[N+]1[O-])C(=O)SC2=CN=C(C=C2)OC(=O)C(C)C3=CC4=C(C=C3)C=C(C=C4)OC

Isomeric SMILES

CC1=CN=C(C=[N+]1[O-])C(=O)SC2=CN=C(C=C2)OC(=O)[C@@H](C)C3=CC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C25H21N3O5S/c1-15-12-26-22(14-28(15)31)25(30)34-21-8-9-23(27-13-21)33-24(29)16(2)17-4-5-19-11-20(32-3)7-6-18(19)10-17/h4-14,16H,1-3H3/t16-/m0/s1