(4S)-2-azanyl-5-oxidanylidene-4-(1H-pyrrol-2-yl)-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-5-oxidanylidene-4-(1H-pyrrol-2-yl)-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-2-amino-5-oxo-4-(1H-pyrrol-2-yl)-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-2-amino-5-oxo-4-(1H-pyrrol-2-yl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-5-oxo-4-(1H-pyrrol-2-yl)-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-2-amino-5-keto-4-(1H-pyrrol-2-yl)-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=CN3)C(=O)C1

Isomeric SMILES

C1CC2=C([C@H](C(=C(O2)N)C#N)C3=CC=CN3)C(=O)C1

InChI

InChI=1S/C14H13N3O2/c15-7-8-12(9-3-2-6-17-9)13-10(18)4-1-5-11(13)19-14(8)16/h2-3,6,12,17H,1,4-5,16H2/t12-/m1/s1