propan-2-yl 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: propan-2-yl 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: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O3S/c1-16(2)34-27(33)24-22(35-25(30)20(14-29)23(24)17-8-10-31-11-9-17)15-36-26-19(13-28)12-18-6-4-3-5-7-21(18)32-26/h8-12,16,23H,3-7,15,30H2,1-2H3