(E)-4-(3-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoate

Systemtic Name: (E)-4-(3-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoate Openeye Name: (E)-4-(m-tolyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoate CAS Name: (E)-4-(3-methylphenyl)-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-3-butenoate IUPAC Name: (E)-4-(3-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoate Traditional Name: (E)-4-(m-tolyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C(CC(=O)[O-])C2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(\CC(=O)[O-])/C2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C17H14N2O3S/c1-11-3-2-4-12(7-11)8-14(9-15(20)21)17-18-16(19-22-17)13-5-6-23-10-13/h2-8,10H,9H2,1H3,(H,20,21)/p-1/b14-8+