[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-keto-2-(2-thenylcarbamoylamino)ethyl] ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC(=O)NC(=O)NCC2=CC=CS2

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC(=O)NC(=O)NCC2=CC=CS2

InChI

InChI=1S/C16H17N3O4S/c1-10-4-2-6-12(14(10)17)15(21)23-9-13(20)19-16(22)18-8-11-5-3-7-24-11/h2-7H,8-9,17H2,1H3,(H2,18,19,20,22)