N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-1-oxidanylidene-isothiochromene-3-carboxamide

Systemtic Name: N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-1-oxidanylidene-isothiochromene-3-carboxamide Openeye Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-1-oxo-isothiochromene-3-carboxamide CAS Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-1-oxo-2-benzothiopyran-3-carboxamide IUPAC Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-1-oxoisothiochromene-3-carboxamide Traditional Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-1-keto-isothiochromene-3-carboxamide Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NCCC3=CC(=C(C=C3)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NCCC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C18H15NO4S/c20-14-6-5-11(9-15(14)21)7-8-19-17(22)16-10-12-3-1-2-4-13(12)18(23)24-16/h1-6,9-10,20-21H,7-8H2,(H,19,22)