ethyl (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]acrylic acid ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N(C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)/C#N

InChI

InChI=1S/C22H25N3O5S/c1-4-30-22(26)19(15-23)13-18-12-16(2)25(17(18)3)20-6-5-7-21(14-20)31(27,28)24-8-10-29-11-9-24/h5-7,12-14H,4,8-11H2,1-3H3/b19-13+