dimethyl 4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-1-(2-thienylmethyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-1-(2-thenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H20ClNO6S MolecularWeight: 449.9046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC=CS3)C(=O)OC)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC=CS3)C(=O)OC)Cl)O

InChI

InChI=1S/C21H20ClNO6S/c1-27-17-8-12(7-16(22)19(17)24)18-14(20(25)28-2)10-23(9-13-5-4-6-30-13)11-15(18)21(26)29-3/h4-8,10-11,18,24H,9H2,1-3H3