[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-azanyl-3-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)N)C(=O)OCC(=O)NC(=O)NCCC2=CC=CS2

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)N)C(=O)OCC(=O)NC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C16H16ClN3O4S/c17-12-5-1-4-11(14(12)18)15(22)24-9-13(21)20-16(23)19-7-6-10-3-2-8-25-10/h1-5,8H,6-7,9,18H2,(H2,19,20,21,23)