(3Z)-3-[[2-(3,4-dimethoxyphenyl)ethyl-phenyl-amino]-oxidanyl-methylidene]-6-methoxy-thiochromen-4-one

Systemtic Name: (3Z)-3-[[2-(3,4-dimethoxyphenyl)ethyl-phenyl-amino]-oxidanyl-methylidene]-6-methoxy-thiochromen-4-one Openeye Name: (3Z)-3-[[N-[2-(3,4-dimethoxyphenyl)ethyl]anilino]-hydroxy-methylene]-6-methoxy-thiochroman-4-one CAS Name: (3Z)-3-[[N-[2-(3,4-dimethoxyphenyl)ethyl]anilino]-hydroxymethylidene]-6-methoxy-1-benzothiopyran-4-one IUPAC Name: (3Z)-3-[[N-[2-(3,4-dimethoxyphenyl)ethyl]anilino]-hydroxymethylidene]-6-methoxythiochromen-4-one Traditional Name: (3Z)-3-[(N-homoveratrylanilino)-hydroxy-methylene]-6-methoxy-thiochroman-4-one Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCC(=C(N(CCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)O)C2=O

Isomeric SMILES

COC1=CC2=C(C=C1)SC/C(=C(/N(CCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)\O)/C2=O

InChI

InChI=1S/C27H27NO5S/c1-31-20-10-12-25-21(16-20)26(29)22(17-34-25)27(30)28(19-7-5-4-6-8-19)14-13-18-9-11-23(32-2)24(15-18)33-3/h4-12,15-16,30H,13-14,17H2,1-3H3/b27-22+