ethyl 2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-oxidanyl-1-benzofuran-3-carboxylate hydrochloride

Systemtic Name: ethyl 2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-oxidanyl-1-benzofuran-3-carboxylate hydrochloride Openeye Name: ethyl 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylate hydrochloride CAS Name: 2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-(dimethylaminomethyl)-5-hydroxy-3-benzofurancarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-hydroxy-1-benzofuran-3-carboxylate hydrochloride Traditional Name: 2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester hydrochloride Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=C(C(=CC(=N3)C)C)C#N.Cl

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=C(C(=CC(=N3)C)C)C#N.Cl

InChI

InChI=1S/C23H25N3O4S.ClH/c1-6-29-23(28)21-19(12-31-22-15(10-24)13(2)9-14(3)25-22)30-18-8-7-17(27)16(20(18)21)11-26(4)5;/h7-9,27H,6,11-12H2,1-5H3;1H