ethyl 4-azanyl-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-5-iodanyl-10bH-pyrano[3,4-c]quinoline-1-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-5-iodanyl-10bH-pyrano[3,4-c]quinoline-1-carboxylate Openeye Name: ethyl 4-amino-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-5-iodo-10bH-pyrano[3,4-c]quinoline-1-carboxylate CAS Name: 4-amino-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-5-iodo-10bH-pyrano[3,4-c]quinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-5-iodo-10bH-pyrano[3,4-c]quinoline-1-carboxylate Traditional Name: 4-amino-2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-5-iodo-10bH-pyrano[3,4-c]quinoline-1-carboxylic acid ethyl ester Formula: C24H21IN4O3S MolecularWeight: 572.41801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C2C1C3=CC=CC=C3N=C2I)N)CSC4=C(C(=CC(=N4)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C2C1C3=CC=CC=C3N=C2I)N)CSC4=C(C(=CC(=N4)C)C)C#N

InChI

InChI=1S/C24H21IN4O3S/c1-4-31-24(30)19-17(11-33-23-15(10-26)12(2)9-13(3)28-23)32-22(27)20-18(19)14-7-5-6-8-16(14)29-21(20)25/h5-9,18H,4,11,27H2,1-3H3