methyl 4-[(4-thiophen-2-ylbutanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(4-thiophen-2-ylbutanoylamino)methyl]benzoate Openeye Name: methyl 4-[[4-(2-thienyl)butanoylamino]methyl]benzoate CAS Name: 4-[[(1-oxo-4-thiophen-2-ylbutyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-thiophen-2-ylbutanoylamino)methyl]benzoate Traditional Name: 4-[[4-(2-thienyl)butanoylamino]methyl]benzoic acid methyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCCC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCCC2=CC=CS2

InChI

InChI=1S/C17H19NO3S/c1-21-17(20)14-9-7-13(8-10-14)12-18-16(19)6-2-4-15-5-3-11-22-15/h3,5,7-11H,2,4,6,12H2,1H3,(H,18,19)