(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H14N2O7S MolecularWeight: 438.41006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O7S/c1-11(24)22-14-2-4-16-13(8-20(25)30-17(16)9-14)10-29-21(26)19-7-12-6-15(23(27)28)3-5-18(12)31-19/h2-9H,10H2,1H3,(H,22,24)