methyl 3-[[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzoate

Systemtic Name: methyl 3-[[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzoate Openeye Name: methyl 3-[[2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]amino]benzoate CAS Name: 3-[[2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzoate Traditional Name: 3-[[2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]amino]benzoic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NCC(=O)NC(=O)NCCC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NCC(=O)NC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C17H19N3O4S/c1-24-16(22)12-4-2-5-13(10-12)19-11-15(21)20-17(23)18-8-7-14-6-3-9-25-14/h2-6,9-10,19H,7-8,11H2,1H3,(H2,18,20,21,23)