ethyl 3-methyl-5-[4-(phenylmethylsulfanyl)butanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[4-(phenylmethylsulfanyl)butanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-benzylsulfanylbutanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-4-(phenylmethylthio)butyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-benzylsulfanylbutanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(benzylthio)butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H23NO3S2 MolecularWeight: 377.52082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CCCSCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CCCSCC2=CC=CC=C2)C

InChI

InChI=1S/C19H23NO3S2/c1-3-23-19(22)18-14(2)12-17(25-18)20-16(21)10-7-11-24-13-15-8-5-4-6-9-15/h4-6,8-9,12H,3,7,10-11,13H2,1-2H3,(H,20,21)