4-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylate

Systemtic Name: 4-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-5-methyl-2-furoate Formula: C13H10ClO3S- MolecularWeight: 281.7347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H11ClO3S/c1-8-9(6-12(17-8)13(15)16)7-18-11-4-2-10(14)3-5-11/h2-6H,7H2,1H3,(H,15,16)/p-1