ethyl 6-azanyl-4-(2-bromophenyl)-5-cyano-2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(2-bromophenyl)-5-cyano-2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(2-bromophenyl)-5-cyano-2-[[3-cyano-6-methyl-4-(2-thienyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanylmethyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(2-bromophenyl)-5-cyano-2-[[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(2-bromophenyl)-5-cyano-2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(2-bromophenyl)-5-cyano-2-[[[3-cyano-6-methyl-4-(2-thienyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C30H26BrN5O3S2 MolecularWeight: 648.59314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2Br)C#N)N)CSC3=NC4=C(CN(CC4)C)C(=C3C#N)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2Br)C#N)N)CSC3=NC4=C(CN(CC4)C)C(=C3C#N)C5=CC=CS5

InChI

InChI=1S/C30H26BrN5O3S2/c1-3-38-30(37)27-23(39-28(34)18(13-32)26(27)17-7-4-5-8-21(17)31)16-41-29-19(14-33)25(24-9-6-12-40-24)20-15-36(2)11-10-22(20)35-29/h4-9,12,26H,3,10-11,15-16,34H2,1-2H3