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

Systemtic Name: ethyl 6-azanyl-4-(2-bromophenyl)-5-cyano-2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(2-bromophenyl)-5-cyano-2-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanylmethyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(2-bromophenyl)-5-cyano-2-[[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(2-bromophenyl)-5-cyano-2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(2-bromophenyl)-5-cyano-2-[[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C30H25BrN4O3S2 MolecularWeight: 633.5785

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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(CCCC4)C(=C3C#N)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2Br)C#N)N)CSC3=NC4=C(CCCC4)C(=C3C#N)C5=CC=CS5

InChI

InChI=1S/C30H25BrN4O3S2/c1-2-37-30(36)27-23(38-28(34)19(14-32)26(27)17-8-3-5-10-21(17)31)16-40-29-20(15-33)25(24-12-7-13-39-24)18-9-4-6-11-22(18)35-29/h3,5,7-8,10,12-13,26H,2,4,6,9,11,16,34H2,1H3