4-(2-methylphenyl)-4-[2-(1,3-oxazol-2-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoate

Systemtic Name: 4-(2-methylphenyl)-4-[2-(1,3-oxazol-2-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Openeye Name: 4-(o-tolyl)-4-[2-oxazol-2-yl-5-(3-thienylmethoxy)phenoxy]butanoate CAS Name: 4-(2-methylphenyl)-4-[2-(2-oxazolyl)-5-(3-thiophenylmethoxy)phenoxy]butanoate IUPAC Name: 4-(2-methylphenyl)-4-[2-(1,3-oxazol-2-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Traditional Name: 4-(o-tolyl)-4-[2-oxazol-2-yl-5-(3-thenyloxy)phenoxy]butyrate Formula: C25H22NO5S- MolecularWeight: 448.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NC=CO4

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NC=CO4

InChI

InChI=1S/C25H23NO5S/c1-17-4-2-3-5-20(17)22(8-9-24(27)28)31-23-14-19(30-15-18-10-13-32-16-18)6-7-21(23)25-26-11-12-29-25/h2-7,10-14,16,22H,8-9,15H2,1H3,(H,27,28)/p-1