(phenylmethyl) 2-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]ethanoate Openeye Name: benzyl 2-[[4-oxo-4-(2-thienyl)butanoyl]amino]acetate CAS Name: 2-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]acetate Traditional Name: 2-[[4-keto-4-(2-thienyl)butanoyl]amino]acetic acid benzyl ester Formula: C17H17NO4S MolecularWeight: 331.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C17H17NO4S/c19-14(15-7-4-10-23-15)8-9-16(20)18-11-17(21)22-12-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,18,20)