methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=NC4=C(CCCC4)C=C3C#N)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=NC4=C(CCCC4)C=C3C#N)N)C#N

InChI

InChI=1S/C28H28N4O3S/c1-16(2)17-8-10-18(11-9-17)24-21(14-30)26(31)35-23(25(24)28(33)34-3)15-36-27-20(13-29)12-19-6-4-5-7-22(19)32-27/h8-12,16,24H,4-7,15,31H2,1-3H3