methyl (2S,3S)-6,7-dimethoxy-3-oxidanyl-3-phenyl-2H-thieno[2,3-b]quinoline-2-carboxylate

Systemtic Name: methyl (2S,3S)-6,7-dimethoxy-3-oxidanyl-3-phenyl-2H-thieno[2,3-b]quinoline-2-carboxylate Openeye Name: methyl (2S,3S)-3-hydroxy-6,7-dimethoxy-3-phenyl-2H-thieno[2,3-b]quinoline-2-carboxylate CAS Name: (2S,3S)-3-hydroxy-6,7-dimethoxy-3-phenyl-2H-thieno[2,3-b]quinoline-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-3-hydroxy-6,7-dimethoxy-3-phenyl-2H-thieno[2,3-b]quinoline-2-carboxylate Traditional Name: (2S,3S)-3-hydroxy-6,7-dimethoxy-3-phenyl-2H-thieno[2,3-b]quinoline-2-carboxylic acid methyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC3=C(N=C2C=C1OC)SC(C3(C4=CC=CC=C4)O)C(=O)OC

Isomeric SMILES

COC1=CC2=CC3=C(N=C2C=C1OC)S[C@@H]([C@@]3(C4=CC=CC=C4)O)C(=O)OC

InChI

InChI=1S/C21H19NO5S/c1-25-16-10-12-9-14-19(22-15(12)11-17(16)26-2)28-18(20(23)27-3)21(14,24)13-7-5-4-6-8-13/h4-11,18,24H,1-3H3/t18-,21+/m1/s1