[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-keto-2-(2-thenylcarbamoylamino)ethyl] ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CS2)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CS2)SCC(=O)N

InChI

InChI=1S/C17H17N3O5S2/c18-14(21)10-27-13-6-2-1-5-12(13)16(23)25-9-15(22)20-17(24)19-8-11-4-3-7-26-11/h1-7H,8-10H2,(H2,18,21)(H2,19,20,22,24)