cyanomethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: cyanomethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: cyanomethyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid cyanomethyl ester Formula: C13H9ClN2O3S MolecularWeight: 308.74016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC#N)Cl

InChI

InChI=1S/C13H9ClN2O3S/c14-11-8-3-1-2-4-9(8)20-12(11)13(18)16-7-10(17)19-6-5-15/h1-4H,6-7H2,(H,16,18)