ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[[(6-oxo-1H-pyrimidin-2-yl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[[(6-keto-1H-pyrimidin-2-yl)thio]methyl]-6,7-dimethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C27H27N3O7S MolecularWeight: 537.58418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O7S/c1-6-37-26(32)25-18(14-38-27-28-10-9-23(31)30-27)29-17-13-22(36-5)21(35-4)12-16(17)24(25)15-7-8-19(33-2)20(11-15)34-3/h7-13H,6,14H2,1-5H3,(H,28,30,31)