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

Systemtic Name: 4-(2-methylphenyl)-4-[2-(1,3-thiazol-2-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Openeye Name: 4-(o-tolyl)-4-[2-thiazol-2-yl-5-(3-thienylmethoxy)phenoxy]butanoate CAS Name: 4-(2-methylphenyl)-4-[2-(2-thiazolyl)-5-(3-thiophenylmethoxy)phenoxy]butanoate IUPAC Name: 4-(2-methylphenyl)-4-[2-(1,3-thiazol-2-yl)-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Traditional Name: 4-(o-tolyl)-4-[5-(3-thenyloxy)-2-thiazol-2-yl-phenoxy]butyrate Formula: C25H22NO4S2- MolecularWeight: 464.57648

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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=CS4

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NC=CS4

InChI

InChI=1S/C25H23NO4S2/c1-17-4-2-3-5-20(17)22(8-9-24(27)28)30-23-14-19(29-15-18-10-12-31-16-18)6-7-21(23)25-26-11-13-32-25/h2-7,10-14,16,22H,8-9,15H2,1H3,(H,27,28)/p-1