N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-6-methoxy-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-6-methoxy-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-6-methoxy-2-oxo-chromene-3-carboxamide CAS Name: N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-6-methoxy-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-6-methoxy-2-oxochromene-3-carboxamide Traditional Name: N-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-keto-6-methoxy-chromene-3-carboxamide Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NC3=C(C4=C(CCCC4)C(=S)S3)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NC3=C(C4=C(CCCC4)C(=S)S3)C#N

InChI

InChI=1S/C21H16N2O4S2/c1-26-12-6-7-17-11(8-12)9-15(20(25)27-17)18(24)23-19-16(10-22)13-4-2-3-5-14(13)21(28)29-19/h6-9H,2-5H2,1H3,(H,23,24)