ethyl 4-(methoxymethyl)-6-methyl-5-nitro-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 4-(methoxymethyl)-6-methyl-5-nitro-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 4-(methoxymethyl)-6-methyl-5-nitro-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4-(methoxymethyl)-6-methyl-5-nitro-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(methoxymethyl)-6-methyl-5-nitro-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4-(methoxymethyl)-6-methyl-5-nitro-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=C(N=C2S1)C)[N+](=O)[O-])COC)N3C=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=C(N=C2S1)C)[N+](=O)[O-])COC)N3C=CC=C3

InChI

InChI=1S/C17H17N3O5S/c1-4-25-17(21)15-14(19-7-5-6-8-19)12-11(9-24-3)13(20(22)23)10(2)18-16(12)26-15/h5-8H,4,9H2,1-3H3