(4S)-2-azanyl-4-(2-fluoranyl-5-methoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(2-fluoranyl-5-methoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(2-fluoro-5-methoxy-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(2-fluoro-5-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(2-fluoro-5-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(2-fluoro-5-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C17H15FN2O3 MolecularWeight: 314.311003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)C2C(=C(OC3=C2C(=O)CCC3)N)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)F)[C@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N

InChI

InChI=1S/C17H15FN2O3/c1-22-9-5-6-12(18)10(7-9)15-11(8-19)17(20)23-14-4-2-3-13(21)16(14)15/h5-7,15H,2-4,20H2,1H3/t15-/m0/s1