(4R)-2-azanyl-4-(2-bromanyl-5-methoxy-phenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carbonitrile

Systemtic Name: (4R)-2-azanyl-4-(2-bromanyl-5-methoxy-phenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carbonitrile Openeye Name: (4R)-2-amino-4-(2-bromo-5-methoxy-phenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carbonitrile CAS Name: (4R)-2-amino-4-(2-bromo-5-methoxyphenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carbonitrile IUPAC Name: (4R)-2-amino-4-(2-bromo-5-methoxyphenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carbonitrile Traditional Name: (4R)-2-amino-4-(2-bromo-5-methoxy-phenyl)-5-keto-4H-thiochromeno[4,3-b]pyran-3-carbonitrile Formula: C20H13BrN2O3S MolecularWeight: 441.29782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C2C(=C(OC3=C2C(=O)SC4=CC=CC=C43)N)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)Br)[C@@H]2C(=C(OC3=C2C(=O)SC4=CC=CC=C43)N)C#N

InChI

InChI=1S/C20H13BrN2O3S/c1-25-10-6-7-14(21)12(8-10)16-13(9-22)19(23)26-18-11-4-2-3-5-15(11)27-20(24)17(16)18/h2-8,16H,23H2,1H3/t16-/m1/s1