(3E)-3-[[2-(3,4-dimethoxyphenyl)ethyl-phenyl-amino]-oxidanyl-methylidene]thiochromen-4-one

Systemtic Name: (3E)-3-[[2-(3,4-dimethoxyphenyl)ethyl-phenyl-amino]-oxidanyl-methylidene]thiochromen-4-one Openeye Name: (3E)-3-[[N-[2-(3,4-dimethoxyphenyl)ethyl]anilino]-hydroxy-methylene]thiochroman-4-one CAS Name: (3E)-3-[[N-[2-(3,4-dimethoxyphenyl)ethyl]anilino]-hydroxymethylidene]-1-benzothiopyran-4-one IUPAC Name: (3E)-3-[[N-[2-(3,4-dimethoxyphenyl)ethyl]anilino]-hydroxymethylidene]thiochromen-4-one Traditional Name: (3E)-3-[(N-homoveratrylanilino)-hydroxy-methylene]thiochroman-4-one Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(C2=CC=CC=C2)C(=C3CSC4=CC=CC=C4C3=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(C2=CC=CC=C2)/C(=C/3\CSC4=CC=CC=C4C3=O)/O)OC

InChI

InChI=1S/C26H25NO4S/c1-30-22-13-12-18(16-23(22)31-2)14-15-27(19-8-4-3-5-9-19)26(29)21-17-32-24-11-7-6-10-20(24)25(21)28/h3-13,16,29H,14-15,17H2,1-2H3/b26-21-