[2-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[(E)-(3-oxobenzothiophen-2-ylidene)methyl]phenyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] ester IUPAC Name: [2-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[(E)-(3-ketobenzothiophen-2-ylidene)methyl]phenyl] ester Formula: C20H11NO6S MolecularWeight: 393.36944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C2C(=O)C3=CC=CC=C3S2)OC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/2\C(=O)C3=CC=CC=C3S2)OC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C20H11NO6S/c22-19-13-6-2-4-8-16(13)28-17(19)11-12-5-1-3-7-14(12)27-20(23)15-9-10-18(26-15)21(24)25/h1-11H/b17-11+