2-ethylsulfanyl-1,3-benzoxazole; piperidin-1-yl (E)-4-[(4-chlorophenyl)-pyridin-2-yl-methyl]peroxy-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-ethylsulfanyl-1,3-benzoxazole; piperidin-1-yl (E)-4-[(4-chlorophenyl)-pyridin-2-yl-methyl]peroxy-4-oxidanylidene-but-2-enoate Openeye Name: 2-ethylsulfanyl-1,3-benzoxazole; 1-piperidyl (E)-4-[(4-chlorophenyl)-(2-pyridyl)methyl]peroxy-4-oxo-but-2-enoate CAS Name: (E)-4-[(4-chlorophenyl)-(2-pyridinyl)methyl]dioxy-4-oxo-2-butenoic acid 1-piperidinyl ester; 2-(ethylthio)-1,3-benzoxazole IUPAC Name: 2-ethylsulfanyl-1,3-benzoxazole; piperidin-1-yl (E)-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]peroxy-4-oxobut-2-enoate Traditional Name: (E)-4-[(4-chlorophenyl)-(2-pyridyl)methyl]peroxy-4-keto-but-2-enoic acid piperidino ester; 2-(ethylthio)-1,3-benzoxazole Formula: C30H30ClN3O6S MolecularWeight: 596.0937

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2O1.C1CCN(CC1)OC(=O)C=CC(=O)OOC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

CCSC1=NC2=CC=CC=C2O1.C1CCN(CC1)OC(=O)/C=C/C(=O)OOC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C21H21ClN2O5.C9H9NOS/c22-17-9-7-16(8-10-17)21(18-6-2-3-13-23-18)29-28-20(26)12-11-19(25)27-24-14-4-1-5-15-24;1-2-12-9-10-7-5-3-4-6-8(7)11-9/h2-3,6-13,21H,1,4-5,14-15H2;3-6H,2H2,1H3/b12-11+;