ethyl 4-(6-azanyl-5-cyano-3,3-dimethyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridin-7-yl)benzoate

Systemtic Name: ethyl 4-(6-azanyl-5-cyano-3,3-dimethyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridin-7-yl)benzoate Openeye Name: ethyl 4-(6-amino-5-cyano-3,3-dimethyl-8-thioxo-1,4-dihydropyrano[3,4-c]pyridin-7-yl)benzoate CAS Name: 4-(6-amino-5-cyano-3,3-dimethyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridin-7-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(6-amino-5-cyano-3,3-dimethyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridin-7-yl)benzoate Traditional Name: 4-(6-amino-5-cyano-3,3-dimethyl-8-thioxo-1,4-dihydropyrano[3,4-c]pyridin-7-yl)benzoic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=C(C2=S)COC(C3)(C)C)C#N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=C(C2=S)COC(C3)(C)C)C#N)N

InChI

InChI=1S/C20H21N3O3S/c1-4-25-19(24)12-5-7-13(8-6-12)23-17(22)15(10-21)14-9-20(2,3)26-11-16(14)18(23)27/h5-8H,4,9,11,22H2,1-3H3