2-(1,3-benzothiazol-2-yl)-4-[(3S)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-5-methyl-pyrazol-3-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3S)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-5-methyl-pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3S)-2,5-dioxo-1-phenyl-pyrrolidin-3-yl]-5-methyl-pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(3S)-2,5-dioxo-1-phenyl-3-pyrrolidinyl]-5-methyl-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-5-methylpyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(3S)-2,5-diketo-1-phenyl-pyrrolidin-3-yl]-5-methyl-pyrazol-3-olate Formula: C21H15N4O3S- MolecularWeight: 403.4338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2CC(=O)N(C2=O)C3=CC=CC=C3)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NN(C(=C1[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H16N4O3S/c1-12-18(14-11-17(26)24(19(14)27)13-7-3-2-4-8-13)20(28)25(23-12)21-22-15-9-5-6-10-16(15)29-21/h2-10,14,28H,11H2,1H3/p-1/t14-/m0/s1