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

Systemtic Name: (2-cyanophenyl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: (2-cyanophenyl)methyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid (2-cyanobenzyl) ester Formula: C19H13ClN2O3S MolecularWeight: 384.83612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C#N

InChI

InChI=1S/C19H13ClN2O3S/c20-17-14-7-3-4-8-15(14)26-18(17)19(24)22-10-16(23)25-11-13-6-2-1-5-12(13)9-21/h1-8H,10-11H2,(H,22,24)