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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(4-benzyloxyphenyl)-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-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-phenylmethoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(4-benzoxyphenyl)-5-cyano-2-[[(3-cyano-1-pyrindan-2-yl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C32H28N4O4S MolecularWeight: 564.65412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)N)CSC4=NC5=C(CCC5)C=C4C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)N)CSC4=NC5=C(CCC5)C=C4C#N

InChI

InChI=1S/C32H28N4O4S/c1-2-38-32(37)29-27(19-41-31-23(16-33)15-22-9-6-10-26(22)36-31)40-30(35)25(17-34)28(29)21-11-13-24(14-12-21)39-18-20-7-4-3-5-8-20/h3-5,7-8,11-15,28H,2,6,9-10,18-19,35H2,1H3