ethyl 6-azanyl-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)oxymethyl]-4H-thiopyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)oxymethyl]-4H-thiopyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)oxymethyl]-4H-thiopyran-3-carboxylate CAS Name: 6-amino-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)oxymethyl]-4H-thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)oxymethyl]-4H-thiopyran-3-carboxylate Traditional Name: 6-amino-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)oxymethyl]-4H-thiopyran-3-carboxylic acid ethyl ester Formula: C28H27ClN4O3S MolecularWeight: 535.05698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C(C1C2=CC=C(C=C2)Cl)C#N)N)COC3=NC4=C(CCCCCC4)C=C3C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C(C1C2=CC=C(C=C2)Cl)C#N)N)COC3=NC4=C(CCCCCC4)C=C3C#N

InChI

InChI=1S/C28H27ClN4O3S/c1-2-35-28(34)25-23(37-26(32)21(15-31)24(25)17-9-11-20(29)12-10-17)16-36-27-19(14-30)13-18-7-5-3-4-6-8-22(18)33-27/h9-13,24H,2-8,16,32H2,1H3