ethyl (E)-2-cyano-3-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-anilino)prop-2-enoate CAS Name: (E)-2-cyano-3-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-hydroxy-5-pyrrolidinosulfonyl-anilino)acrylic acid ethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)O)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)O)/C#N

InChI

InChI=1S/C16H19N3O5S/c1-2-24-16(21)12(10-17)11-18-14-9-13(5-6-15(14)20)25(22,23)19-7-3-4-8-19/h5-6,9,11,18,20H,2-4,7-8H2,1H3/b12-11+