2-azanyl-4-(1,3-benzodioxol-5-yl)-9-methoxy-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-9-methoxy-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-9-methoxy-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-9-methoxy-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-9-methoxy-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-9-methoxy-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCC3=C2OC(=C(C3C4=CC5=C(C=C4)OCO5)C#N)N

Isomeric SMILES

COC1=CC2=C(C=C1)SCC3=C2OC(=C(C3C4=CC5=C(C=C4)OCO5)C#N)N

InChI

InChI=1S/C21H16N2O4S/c1-24-12-3-5-18-13(7-12)20-15(9-28-18)19(14(8-22)21(23)27-20)11-2-4-16-17(6-11)26-10-25-16/h2-7,19H,9-10,23H2,1H3