(4S)-2-azanyl-4-(2-bromanyl-4,5-diethoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(2-bromanyl-4,5-diethoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(2-bromo-4,5-diethoxy-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(2-bromo-4,5-diethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(2-bromo-4,5-diethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(2-bromo-4,5-diethoxy-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[C@H]2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Br)OCC

InChI

InChI=1S/C22H25BrN2O4/c1-5-27-16-7-12(14(23)8-17(16)28-6-2)19-13(11-24)21(25)29-18-10-22(3,4)9-15(26)20(18)19/h7-8,19H,5-6,9-10,25H2,1-4H3/t19-/m0/s1