imidazo[1,2-a]pyridin-2-ylmethyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: imidazo[1,2-a]pyridin-2-ylmethyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: imidazo[1,2-a]pyridin-2-ylmethyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid 2-imidazo[1,2-a]pyridinylmethyl ester IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid imidazo[1,2-a]pyridin-2-ylmethyl ester Formula: C17H11N3O4S MolecularWeight: 353.35194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CN2C=C1)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NC(=CN2C=C1)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O4S/c21-17(24-10-12-9-19-6-2-1-3-16(19)18-12)15-8-11-7-13(20(22)23)4-5-14(11)25-15/h1-9H,10H2