ethyl 4-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]thiophene-2-carboxylate Openeye Name: ethyl 4-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]thiophene-2-carboxylate CAS Name: 4-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]thiophene-2-carboxylate Traditional Name: 4-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C19H21NO4S2 MolecularWeight: 391.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CS1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CS1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C

InChI

InChI=1S/C19H21NO4S2/c1-3-24-19(23)17-10-16(12-26-17)20-18(22)15(11-25-13(2)21)9-14-7-5-4-6-8-14/h4-8,10,12,15H,3,9,11H2,1-2H3,(H,20,22)