ethyl 6-azanyl-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-nitrophenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-nitrophenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-nitrophenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]methyl]-4-(4-nitrophenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-nitrophenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-1-pyrindan-2-yl)thio]methyl]-4-(4-nitrophenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H21N5O5S MolecularWeight: 503.52974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C#N)N)CSC3=NC4=C(CCC4)C=C3C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C#N)N)CSC3=NC4=C(CCC4)C=C3C#N

InChI

InChI=1S/C25H21N5O5S/c1-2-34-25(31)22-20(13-36-24-16(11-26)10-15-4-3-5-19(15)29-24)35-23(28)18(12-27)21(22)14-6-8-17(9-7-14)30(32)33/h6-10,21H,2-5,13,28H2,1H3