[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [3-(benzylcarbamoylamino)-3-oxo-propyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [3-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propyl] ester IUPAC Name: [3-(benzylcarbamoylamino)-3-oxopropyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [3-(benzylcarbamoylamino)-3-keto-propyl] ester Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)CCOC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)CCOC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H21N3O6S2/c22-15(21-18(24)19-13-14-5-2-1-3-6-14)9-11-27-16(23)8-10-20-29(25,26)17-7-4-12-28-17/h1-7,12,20H,8-11,13H2,(H2,19,21,22,24)