ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(3-oxidanylpyridin-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(3-oxidanylpyridin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(3-hydroxy-2-pyridyl)sulfanylmethyl]-6,7-dimethoxy-quinoline-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(3-hydroxy-2-pyridinyl)thio]methyl]-6,7-dimethoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(3-hydroxypyridin-2-yl)sulfanylmethyl]-6,7-dimethoxyquinoline-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[[(3-hydroxy-2-pyridyl)thio]methyl]-6,7-dimethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C28H28N2O7S MolecularWeight: 536.59612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=C(C=CC=N3)O)OC)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=C(C=CC=N3)O)OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H28N2O7S/c1-6-37-28(32)26-19(15-38-27-20(31)8-7-11-29-27)30-18-14-24(36-5)23(35-4)13-17(18)25(26)16-9-10-21(33-2)22(12-16)34-3/h7-14,31H,6,15H2,1-5H3