(2S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(5-methyl-2-furanyl)-oxomethyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-2-keto-4-(5-methyl-2-furoyl)-5-(3-nitrophenyl)-3-pyrrolin-3-olate Formula: C25H18N3O7S- MolecularWeight: 504.49132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)[O-])C(=O)C4=CC=C(O4)C)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3[C@H](C(=C(C3=O)[O-])C(=O)C4=CC=C(O4)C)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O7S/c1-3-34-16-8-9-17-19(12-16)36-25(26-17)27-21(14-5-4-6-15(11-14)28(32)33)20(23(30)24(27)31)22(29)18-10-7-13(2)35-18/h4-12,21,30H,3H2,1-2H3/p-1/t21-/m0/s1