methyl 6-azanyl-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: methyl 6-azanyl-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-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-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-1-pyrindan-2-yl)thio]methyl]-4-p-cumenyl-4H-pyran-3-carboxylic acid methyl ester Formula: C27H26N4O3S MolecularWeight: 486.58534

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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(CCC4)C=C3C#N)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=NC4=C(CCC4)C=C3C#N)N)C#N

InChI

InChI=1S/C27H26N4O3S/c1-15(2)16-7-9-17(10-8-16)23-20(13-29)25(30)34-22(24(23)27(32)33-3)14-35-26-19(12-28)11-18-5-4-6-21(18)31-26/h7-11,15,23H,4-6,14,30H2,1-3H3