methyl 2-methyl-6-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate

Systemtic Name: methyl 2-methyl-6-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate Openeye Name: methyl 2-methyl-6-[3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate CAS Name: 2-methyl-6-[[1-oxo-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-6-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate Traditional Name: 2-methyl-6-[3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CCC2=NC(=NO2)C3=CSC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CCC2=NC(=NO2)C3=CSC=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O4S/c1-11-4-3-5-13(16(11)18(23)24-2)19-14(22)6-7-15-20-17(21-25-15)12-8-9-26-10-12/h3-5,8-10H,6-7H2,1-2H3,(H,19,22)