5-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate

Systemtic Name: 5-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate Openeye Name: 5-[(1S)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate CAS Name: 5-[[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]thio]-4-phenethyl-1,2,4-triazol-3-olate IUPAC Name: 5-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate Traditional Name: 5-[[(1S)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]thio]-4-phenethyl-1,2,4-triazol-3-olate Formula: C22H25N4O4S- MolecularWeight: 441.5233

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SC2=NN=C(N2CCC3=CC=CC=C3)[O-])C

InChI

InChI=1S/C22H26N4O4S/c1-5-30-20(28)17-13(2)18(23-14(17)3)19(27)15(4)31-22-25-24-21(29)26(22)12-11-16-9-7-6-8-10-16/h6-10,15,23H,5,11-12H2,1-4H3,(H,24,29)/p-1/t15-/m0/s1