N-[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]-N-methyl-1-oxidanylidene-isothiochromene-3-carboxamide

Systemtic Name: N-[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]-N-methyl-1-oxidanylidene-isothiochromene-3-carboxamide Openeye Name: N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methyl-1-oxo-isothiochromene-3-carboxamide CAS Name: N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methyl-1-oxo-2-benzothiopyran-3-carboxamide IUPAC Name: N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methyl-1-oxoisothiochromene-3-carboxamide Traditional Name: N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-1-keto-N-methyl-isothiochromene-3-carboxamide Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(C1=CC=C(C=C1)O)O)C(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

CN(CC(C1=CC=C(C=C1)O)O)C(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

InChI=1S/C19H17NO4S/c1-20(11-16(22)12-6-8-14(21)9-7-12)18(23)17-10-13-4-2-3-5-15(13)19(24)25-17/h2-10,16,21-22H,11H2,1H3