propan-2-yl 6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-4-(4-ethylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: propan-2-yl 6-azanyl-5-cyano-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-4-(4-ethylphenyl)-4H-pyran-3-carboxylate Openeye Name: isopropyl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanylmethyl]-4-(4-ethylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-4-(4-ethylphenyl)-4H-pyran-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-4-(4-ethylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]methyl]-4-(4-ethylphenyl)-4H-pyran-3-carboxylic acid isopropyl ester Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC(C)C)CSC3=NC(=C(C(=C3C#N)C)C)C)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC(C)C)CSC3=NC(=C(C(=C3C#N)C)C)C)N)C#N

InChI

InChI=1S/C28H30N4O3S/c1-7-19-8-10-20(11-9-19)24-22(13-30)26(31)35-23(25(24)28(33)34-15(2)3)14-36-27-21(12-29)17(5)16(4)18(6)32-27/h8-11,15,24H,7,14,31H2,1-6H3