ethyl (E)-3-[4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)acetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[1-oxo-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]ethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(5-pyrrolidinosulfonyl-2-thienyl)acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O5S2/c1-2-28-20(25)11-7-16-5-8-17(9-6-16)22-19(24)15-18-10-12-21(29-18)30(26,27)23-13-3-4-14-23/h5-12H,2-4,13-15H2,1H3,(H,22,24)/b11-7+