ethyl 6-azanyl-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-thiophen-2-yl-4H-pyran-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-thiophen-2-yl-4H-pyran-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-(2-thienyl)-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-thiophen-2-yl-4H-pyran-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-thiophen-2-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-(2-thienyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CS2)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=CS2)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N

InChI

InChI=1S/C25H24N4O3S2/c1-2-31-25(30)22-19(32-23(28)17(13-27)21(22)20-9-6-10-33-20)14-34-24-16(12-26)11-15-7-4-3-5-8-18(15)29-24/h6,9-11,21H,2-5,7-8,14,28H2,1H3