methyl 4-[2-(phenylmethylsulfanyl)ethanoylamino]-2,3-dihydrothiophene-5-carboxylate

Systemtic Name: methyl 4-[2-(phenylmethylsulfanyl)ethanoylamino]-2,3-dihydrothiophene-5-carboxylate Openeye Name: methyl 4-[(2-benzylsulfanylacetyl)amino]-2,3-dihydrothiophene-5-carboxylate CAS Name: 4-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(2-benzylsulfanylacetyl)amino]-2,3-dihydrothiophene-5-carboxylate Traditional Name: 4-[[2-(benzylthio)acetyl]amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester Formula: C15H17NO3S2 MolecularWeight: 323.43038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CCS1)NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(CCS1)NC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C15H17NO3S2/c1-19-15(18)14-12(7-8-21-14)16-13(17)10-20-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,17)