methyl 4-[(4R)-2-azanyl-3-cyano-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-4-yl]benzoate

Systemtic Name: methyl 4-[(4R)-2-azanyl-3-cyano-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-4-yl]benzoate Openeye Name: methyl 4-[(4R)-2-amino-3-cyano-5-oxo-4H-thiochromeno[4,3-b]pyran-4-yl]benzoate CAS Name: 4-[(4R)-2-amino-3-cyano-5-oxo-4H-thiochromeno[4,3-b]pyran-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4R)-2-amino-3-cyano-5-oxo-4H-thiochromeno[4,3-b]pyran-4-yl]benzoate Traditional Name: 4-[(4R)-2-amino-3-cyano-5-keto-4H-thiochromeno[4,3-b]pyran-4-yl]benzoic acid methyl ester Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)SC4=CC=CC=C43)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@@H]2C(=C(OC3=C2C(=O)SC4=CC=CC=C43)N)C#N

InChI

InChI=1S/C21H14N2O4S/c1-26-20(24)12-8-6-11(7-9-12)16-14(10-22)19(23)27-18-13-4-2-3-5-15(13)28-21(25)17(16)18/h2-9,16H,23H2,1H3/t16-/m1/s1