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

Systemtic Name: methyl 2-methyl-6-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoate Openeye Name: methyl 2-methyl-6-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate CAS Name: 2-methyl-6-[[1-oxo-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-6-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoate Traditional Name: 2-methyl-6-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CCCC2=NC(=NO2)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CCCC2=NC(=NO2)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C19H19N3O4S/c1-12-6-3-7-13(17(12)19(24)25-2)20-15(23)9-4-10-16-21-18(22-26-16)14-8-5-11-27-14/h3,5-8,11H,4,9-10H2,1-2H3,(H,20,23)