(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 3-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C27H20N4O7S MolecularWeight: 544.5353

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)N)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)N)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H20N4O7S/c28-25-23(26-29-20-6-1-2-7-22(20)39-26)21(32)11-30(25)18-5-3-4-15(8-18)27(33)37-13-17-10-19(31(34)35)9-16-12-36-14-38-24(16)17/h1-10H,11-14,28H2