methyl 2-[[4-(3-thiophen-3-ylpropanoylamino)phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(3-thiophen-3-ylpropanoylamino)phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[3-(3-thienyl)propanoylamino]benzoyl]amino]acetate CAS Name: 2-[[oxo-[4-[[1-oxo-3-(3-thiophenyl)propyl]amino]phenyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(3-thiophen-3-ylpropanoylamino)benzoyl]amino]acetate Traditional Name: 2-[[4-[3-(3-thienyl)propanoylamino]benzoyl]amino]acetic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CSC=C2

Isomeric SMILES

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CSC=C2

InChI

InChI=1S/C17H18N2O4S/c1-23-16(21)10-18-17(22)13-3-5-14(6-4-13)19-15(20)7-2-12-8-9-24-11-12/h3-6,8-9,11H,2,7,10H2,1H3,(H,18,22)(H,19,20)