(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C21H18N2O4S/c1-13(14-3-4-16-10-18(25-2)6-5-15(16)9-14)21(24)26-11-19-22-20(23-27-19)17-7-8-28-12-17/h3-10,12-13H,11H2,1-2H3/t13-/m0/s1