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

Systemtic Name: (4S)-2-azanyl-4-(4-ethoxy-3-iodanyl-5-methoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(4-ethoxy-3-iodo-5-methoxy-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(4-ethoxy-3-iodo-5-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(4-ethoxy-3-iodo-5-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(4-ethoxy-3-iodo-5-methoxy-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C21H23IN2O4 MolecularWeight: 494.32279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1I)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1I)[C@H]2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OC

InChI

InChI=1S/C21H23IN2O4/c1-5-27-19-13(22)6-11(7-15(19)26-4)17-12(10-23)20(24)28-16-9-21(2,3)8-14(25)18(16)17/h6-7,17H,5,8-9,24H2,1-4H3/t17-/m0/s1