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

Systemtic Name: [(2R)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-bis(oxidanylidene)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2R)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dioxo-2-(2-thienyl)pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2R)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dioxo-2-thiophen-2-yl-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2R)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2R)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-diketo-2-(2-thienyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C24H17N2O3S2- MolecularWeight: 445.53338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=CC=C4)[O-])C(=O)C3=O)C5=CC=CS5

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3[C@H](C(=C(C4=CC=CC=C4)[O-])C(=O)C3=O)C5=CC=CS5

InChI

InChI=1S/C24H18N2O3S2/c1-2-14-10-11-16-18(13-14)31-24(25-16)26-20(17-9-6-12-30-17)19(22(28)23(26)29)21(27)15-7-4-3-5-8-15/h3-13,20,27H,2H2,1H3/p-1/t20-/m0/s1