4-[(4S)-2-azanyl-3-cyano-6,7-dimethyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-4-yl]benzoate

Systemtic Name: 4-[(4S)-2-azanyl-3-cyano-6,7-dimethyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-4-yl]benzoate Openeye Name: 4-[(4S)-2-amino-3-cyano-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridin-4-yl]benzoate CAS Name: 4-[(4S)-2-amino-3-cyano-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridin-4-yl]benzoate IUPAC Name: 4-[(4S)-2-amino-3-cyano-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridin-4-yl]benzoate Traditional Name: 4-[(4S)-2-amino-3-cyano-5-keto-6,7-dimethyl-4H-pyrano[3,2-c]pyridin-4-yl]benzoate Formula: C18H14N3O4- MolecularWeight: 336.32146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(=O)[O-])C(=O)N1C

Isomeric SMILES

CC1=CC2=C([C@H](C(=C(O2)N)C#N)C3=CC=C(C=C3)C(=O)[O-])C(=O)N1C

InChI

InChI=1S/C18H15N3O4/c1-9-7-13-15(17(22)21(9)2)14(12(8-19)16(20)25-13)10-3-5-11(6-4-10)18(23)24/h3-7,14H,20H2,1-2H3,(H,23,24)/p-1/t14-/m0/s1