4-[4-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-2-yl]benzoic acid

Systemtic Name: 4-[4-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-2-yl]benzoic acid Openeye Name: 4-[4-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-oxazol-2-yl]benzoic acid CAS Name: 4-[4-[[(4-chlorophenyl)thio]methyl]-5-methyl-2-oxazolyl]benzoic acid IUPAC Name: 4-[4-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-2-yl]benzoic acid Traditional Name: 4-[4-[[(4-chlorophenyl)thio]methyl]-5-methyl-oxazol-2-yl]benzoic acid Formula: C18H14ClNO3S MolecularWeight: 359.82666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClNO3S/c1-11-16(10-24-15-8-6-14(19)7-9-15)20-17(23-11)12-2-4-13(5-3-12)18(21)22/h2-9H,10H2,1H3,(H,21,22)