5-chloranyl-N-[2-(4-ethoxyphenyl)carbonyl-1-benzofuran-3-yl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(4-ethoxyphenyl)carbonyl-1-benzofuran-3-yl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[2-(4-ethoxybenzoyl)benzofuran-3-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(4-ethoxyphenyl)-oxomethyl]-3-benzofuranyl]-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-[2-(4-ethoxybenzoyl)benzofuran-3-yl]pyrimidine-4-carboxamide Formula: C25H20ClN3O4S MolecularWeight: 493.962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=NC(=NC=C4Cl)SCC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=NC(=NC=C4Cl)SCC=C

InChI

InChI=1S/C25H20ClN3O4S/c1-3-13-34-25-27-14-18(26)21(29-25)24(31)28-20-17-7-5-6-8-19(17)33-23(20)22(30)15-9-11-16(12-10-15)32-4-2/h3,5-12,14H,1,4,13H2,2H3,(H,28,31)