ethyl 6-azanyl-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-thiopyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-thiopyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-thiopyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]methyl]-4-phenyl-4H-thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-thiopyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]methyl]-4-phenyl-4H-thiopyran-3-carboxylic acid ethyl ester Formula: C27H26N4O2S2 MolecularWeight: 502.65094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N

InChI

InChI=1S/C27H26N4O2S2/c1-2-33-27(32)24-22(35-25(30)20(15-29)23(24)17-9-5-3-6-10-17)16-34-26-19(14-28)13-18-11-7-4-8-12-21(18)31-26/h3,5-6,9-10,13,23H,2,4,7-8,11-12,16,30H2,1H3