ethyl 6-azanyl-5-cyano-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]methyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]methyl]-4-p-cumenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C29H30N4O3S MolecularWeight: 514.6385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(C)C)C#N)N)CSC3=NC4=C(CCCC4)C=C3C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(C)C)C#N)N)CSC3=NC4=C(CCCC4)C=C3C#N

InChI

InChI=1S/C29H30N4O3S/c1-4-35-29(34)26-24(16-37-28-21(14-30)13-20-7-5-6-8-23(20)33-28)36-27(32)22(15-31)25(26)19-11-9-18(10-12-19)17(2)3/h9-13,17,25H,4-8,16,32H2,1-3H3