[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C24H24BrN3O6S MolecularWeight: 562.43286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C24H24BrN3O6S/c1-3-33-22-9-8-18(25)11-23(22)35(31,32)28-13-17-7-5-4-6-16(17)10-20(28)24(30)34-14-21(29)19(12-26)15(2)27/h4-9,11,20H,3,10,13-14,27H2,1-2H3/b19-15+