propan-2-yl 6-azanyl-5-cyano-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]-4-(4-nitrophenyl)-4H-pyran-3-carboxylate

Systemtic Name: propan-2-yl 6-azanyl-5-cyano-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]-4-(4-nitrophenyl)-4H-pyran-3-carboxylate Openeye Name: isopropyl 6-amino-5-cyano-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]-4-(4-nitrophenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]methyl]-4-(4-nitrophenyl)-4H-pyran-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-amino-5-cyano-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]-4-(4-nitrophenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]methyl]-4-(4-nitrophenyl)-4H-pyran-3-carboxylic acid isopropyl ester Formula: C27H25N5O5S MolecularWeight: 531.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C#N)N)CSC3=NC4=C(CCCC4)C=C3C#N

Isomeric SMILES

CC(C)OC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C#N)N)CSC3=NC4=C(CCCC4)C=C3C#N

InChI

InChI=1S/C27H25N5O5S/c1-15(2)36-27(33)24-22(14-38-26-18(12-28)11-17-5-3-4-6-21(17)31-26)37-25(30)20(13-29)23(24)16-7-9-19(10-8-16)32(34)35/h7-11,15,23H,3-6,14,30H2,1-2H3