methyl 3-[2-[(2R)-3-oxidanylidene-1-thiophen-2-ylcarbonyl-piperazin-2-yl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(2R)-3-oxidanylidene-1-thiophen-2-ylcarbonyl-piperazin-2-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)piperazin-2-yl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(2R)-3-oxo-1-[oxo(thiophen-2-yl)methyl]-2-piperazinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)piperazin-2-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(2R)-3-keto-1-(2-thenoyl)piperazin-2-yl]acetyl]amino]benzoic acid methyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C19H19N3O5S/c1-27-19(26)12-4-2-5-13(10-12)21-16(23)11-14-17(24)20-7-8-22(14)18(25)15-6-3-9-28-15/h2-6,9-10,14H,7-8,11H2,1H3,(H,20,24)(H,21,23)/t14-/m1/s1