methyl 3-(phenylmethyl)-4-sulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-(phenylmethyl)-4-sulfanyl-thiophene-2-carboxylate Openeye Name: methyl 3-benzyl-4-sulfanyl-thiophene-2-carboxylate CAS Name: 4-mercapto-3-(phenylmethyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-4-sulfanylthiophene-2-carboxylate Traditional Name: 3-benzyl-4-mercapto-thiophene-2-carboxylic acid methyl ester Formula: C13H12O2S2 MolecularWeight: 264.36318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CS1)S)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C(=CS1)S)CC2=CC=CC=C2

InChI

InChI=1S/C13H12O2S2/c1-15-13(14)12-10(11(16)8-17-12)7-9-5-3-2-4-6-9/h2-6,8,16H,7H2,1H3