3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide

Systemtic Name: 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide Openeye Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-[(2-cyanophenyl)methylthio]ethyl]propanamide IUPAC Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide Traditional Name: 3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)-N-[2-[(2-cyanobenzyl)thio]ethyl]propionamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)C#N

InChI

InChI=1S/C20H18ClN3O3S/c21-16-5-6-17-18(11-16)27-20(26)24(17)9-7-19(25)23-8-10-28-13-15-4-2-1-3-14(15)12-22/h1-6,11H,7-10,13H2,(H,23,25)