[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)CNC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)CNC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C17H18ClN3O5S/c1-2-7-19-17(25)21-12(22)9-26-13(23)8-20-16(24)15-14(18)10-5-3-4-6-11(10)27-15/h3-6H,2,7-9H2,1H3,(H,20,24)(H2,19,21,22,25)