methyl 3-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(2-benzylsulfanylacetyl)amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-benzylsulfanylacetyl)amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(benzylthio)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C15H15NO3S2 MolecularWeight: 321.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C15H15NO3S2/c1-19-15(18)14-12(7-8-21-14)16-13(17)10-20-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,16,17)