ethyl 6-azanyl-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-(3-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-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(3-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-(3-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-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(3-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(=CC=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(=CC=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)14-21-10-7-13-26(21)36-31)40-30(35)25(17-34)28(29)22-11-6-12-24(15-22)39-18-20-8-4-3-5-9-20/h3-6,8-9,11-12,14-15,28H,2,7,10,13,18-19,35H2,1H3