methyl (2S,3S)-6,7-diethoxy-8-nitro-3-oxidanyl-2,3-dihydrothieno[2,3-b]quinoline-2-carboxylate

Systemtic Name: methyl (2S,3S)-6,7-diethoxy-8-nitro-3-oxidanyl-2,3-dihydrothieno[2,3-b]quinoline-2-carboxylate Openeye Name: methyl (2S,3S)-6,7-diethoxy-3-hydroxy-8-nitro-2,3-dihydrothieno[2,3-b]quinoline-2-carboxylate CAS Name: (2S,3S)-6,7-diethoxy-3-hydroxy-8-nitro-2,3-dihydrothieno[2,3-b]quinoline-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-6,7-diethoxy-3-hydroxy-8-nitro-2,3-dihydrothieno[2,3-b]quinoline-2-carboxylate Traditional Name: (2S,3S)-6,7-diethoxy-3-hydroxy-8-nitro-2,3-dihydrothieno[2,3-b]quinoline-2-carboxylic acid methyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC3=C(N=C2C(=C1OCC)[N+](=O)[O-])SC(C3O)C(=O)OC

Isomeric SMILES

CCOC1=CC2=CC3=C(N=C2C(=C1OCC)[N+](=O)[O-])S[C@@H]([C@H]3O)C(=O)OC

InChI

InChI=1S/C17H18N2O7S/c1-4-25-10-7-8-6-9-13(20)15(17(21)24-3)27-16(9)18-11(8)12(19(22)23)14(10)26-5-2/h6-7,13,15,20H,4-5H2,1-3H3/t13-,15-/m0/s1