2-[[3-azanyl-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-2-yl]carbonylamino]-4-nitro-phenolate

Systemtic Name: 2-[[3-azanyl-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-2-yl]carbonylamino]-4-nitro-phenolate Openeye Name: 2-[[3-amino-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carbonyl]amino]-4-nitro-phenolate CAS Name: 2-[[[3-amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinyl]-oxomethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carbonyl]amino]-4-nitrophenolate Traditional Name: 2-[[3-amino-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carbonyl]amino]-4-nitro-phenolate Formula: C17H15N4O5S- MolecularWeight: 387.3898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])N

Isomeric SMILES

CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])N

InChI

InChI=1S/C17H16N4O5S/c1-8-5-9(7-26-2)13-14(18)15(27-17(13)19-8)16(23)20-11-6-10(21(24)25)3-4-12(11)22/h3-6,22H,7,18H2,1-2H3,(H,20,23)/p-1