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

Systemtic Name: methyl 6-azanyl-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-pyridin-4-yl-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-pyridyl)-4H-pyran-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-pyridin-4-yl-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-pyridin-4-yl-4H-pyran-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-(4-pyridyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC(=C(C1C2=CC=NC=C2)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N

Isomeric SMILES

COC(=O)C1=C(OC(=C(C1C2=CC=NC=C2)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N

InChI

InChI=1S/C25H23N5O3S/c1-32-25(31)22-20(33-23(28)18(13-27)21(22)15-7-9-29-10-8-15)14-34-24-17(12-26)11-16-5-3-2-4-6-19(16)30-24/h7-11,21H,2-6,14,28H2,1H3