N-[4-[2-(4-methoxy-3-oxidanyl-phenyl)ethyl]phenyl]-4-oxidanylidene-2,3-dihydrothiochromene-3-carboxamide

Systemtic Name: N-[4-[2-(4-methoxy-3-oxidanyl-phenyl)ethyl]phenyl]-4-oxidanylidene-2,3-dihydrothiochromene-3-carboxamide Openeye Name: N-[4-[2-(3-hydroxy-4-methoxy-phenyl)ethyl]phenyl]-4-oxo-thiochromane-3-carboxamide CAS Name: N-[4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]phenyl]-4-oxo-2,3-dihydro-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]phenyl]-4-oxo-2,3-dihydrothiochromene-3-carboxamide Traditional Name: N-[4-[2-(3-hydroxy-4-methoxy-phenyl)ethyl]phenyl]-4-keto-thiochroman-3-carboxamide Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=CC=C(C=C2)NC(=O)C3CSC4=CC=CC=C4C3=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=CC=C(C=C2)NC(=O)C3CSC4=CC=CC=C4C3=O)O

InChI

InChI=1S/C25H23NO4S/c1-30-22-13-10-17(14-21(22)27)7-6-16-8-11-18(12-9-16)26-25(29)20-15-31-23-5-3-2-4-19(23)24(20)28/h2-5,8-14,20,27H,6-7,15H2,1H3,(H,26,29)