2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-N-(2-cyanoethyl)-N-p-phenetyl-acetamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=C(O2)C=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=C(O2)C=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-2-26-16-7-5-15(6-8-16)24(11-3-10-22)19(25)13-28-20-23-17-9-4-14(21)12-18(17)27-20/h4-9,12H,2-3,11,13H2,1H3