methyl 6-azanyl-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-1-pyrindan-2-yl)thio]methyl]-4-(3-methoxyphenyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=NC4=C(CCC4)C=C3C#N)N)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=NC4=C(CCC4)C=C3C#N)N)C#N

InChI

InChI=1S/C25H22N4O4S/c1-31-17-7-3-6-15(10-17)21-18(12-27)23(28)33-20(22(21)25(30)32-2)13-34-24-16(11-26)9-14-5-4-8-19(14)29-24/h3,6-7,9-10,21H,4-5,8,13,28H2,1-2H3