(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-(4-chlorophenyl)prop-2-enoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-(4-chlorophenyl)prop-2-enoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl (E)-3-(4-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(4-chlorophenyl)-2-propenoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-(4-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chlorophenyl)acrylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C17H12ClNO3S MolecularWeight: 345.80008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)COC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClNO3S/c18-13-6-3-12(4-7-13)5-8-17(20)21-11-14-10-15(22-19-14)16-2-1-9-23-16/h1-10H,11H2/b8-5+