5-(hydroxymethyl)-2-methyl-4-phenylsulfanyl-thiophene-3-carboxylate

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-phenylsulfanyl-thiophene-3-carboxylate Openeye Name: 5-(hydroxymethyl)-2-methyl-4-phenylsulfanyl-thiophene-3-carboxylate CAS Name: 5-(hydroxymethyl)-2-methyl-4-(phenylthio)-3-thiophenecarboxylate IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-phenylsulfanylthiophene-3-carboxylate Traditional Name: 2-methyl-5-methylol-4-(phenylthio)-3-thenoate Formula: C13H11O3S2- MolecularWeight: 279.35464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)CO)SC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(S1)CO)SC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H12O3S2/c1-8-11(13(15)16)12(10(7-14)17-8)18-9-5-3-2-4-6-9/h2-6,14H,7H2,1H3,(H,15,16)/p-1