ethyl (E)-3-[4-(2-pyrimidin-2-ylsulfanylethanoylamino)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-(2-pyrimidin-2-ylsulfanylethanoylamino)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(2-pyrimidylthio)acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C17H17N3O3S/c1-2-23-16(22)9-6-13-4-7-14(8-5-13)20-15(21)12-24-17-18-10-3-11-19-17/h3-11H,2,12H2,1H3,(H,20,21)/b9-6+