methyl 4-[[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]methyl]benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S/c1-22-17(21)13-6-4-12(5-7-13)11-18-16(20)9-8-14(19)15-3-2-10-23-15/h2-7,10H,8-9,11H2,1H3,(H,18,20)