2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: 2-(2,5-dichlorophenyl)sulfanylethyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester IUPAC Name: 2-(2,5-dichlorophenyl)sulfanylethyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester Formula: C18H14Cl2N2O3S MolecularWeight: 409.28636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCSC2=C(C=CC(=C2)Cl)Cl)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCSC2=C(C=CC(=C2)Cl)Cl)NC(=O)CC#N

InChI

InChI=1S/C18H14Cl2N2O3S/c19-13-3-6-15(20)16(11-13)26-10-9-25-18(24)12-1-4-14(5-2-12)22-17(23)7-8-21/h1-6,11H,7,9-10H2,(H,22,23)