[(2S)-1-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-bis(oxidanylidene)-2-phenyl-pyrrolidin-3-ylidene]-phenyl-methanolate

Systemtic Name: [(2S)-1-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-bis(oxidanylidene)-2-phenyl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-1-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dioxo-2-phenyl-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-1-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dioxo-2-phenyl-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-1-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-4,5-diketo-1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C25H17N2O4S- MolecularWeight: 441.47848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=CC=C4)[O-])C(=O)C3=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3[C@H](C(=C(C4=CC=CC=C4)[O-])C(=O)C3=O)C5=CC=CC=C5

InChI

InChI=1S/C25H18N2O4S/c1-31-17-12-13-18-19(14-17)32-25(26-18)27-21(15-8-4-2-5-9-15)20(23(29)24(27)30)22(28)16-10-6-3-7-11-16/h2-14,21,28H,1H3/p-1/t21-/m0/s1