2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenoxycarbothioyl-amino]ethanoic acid

Systemtic Name: 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenoxycarbothioyl-amino]ethanoic acid Openeye Name: 2-[[3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]methyl-phenoxycarbothioyl-amino]acetic acid CAS Name: 2-[[3-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl-[phenoxy(sulfanylidene)methyl]amino]acetic acid IUPAC Name: 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenoxycarbothioylamino]acetic acid Traditional Name: 2-[[3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]benzyl]-phenoxycarbothioyl-amino]acetic acid Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=CC(=C3)CN(CC(=O)O)C(=S)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=CC(=C3)CN(CC(=O)O)C(=S)OC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O5S/c1-20-25(29-27(34-20)22-10-4-2-5-11-22)15-16-33-24-14-8-9-21(17-24)18-30(19-26(31)32)28(36)35-23-12-6-3-7-13-23/h2-14,17H,15-16,18-19H2,1H3,(H,31,32)