3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-N-phenacyl-propanamide; prop-2-enoyl chloride

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-N-phenacyl-propanamide; prop-2-enoyl chloride Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-N-phenacyl-propanamide; prop-2-enoyl chloride CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-N-phenacylpropanamide; 2-propenoyl chloride IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N-phenacylpropanamide; prop-2-enoyl chloride Traditional Name: acryloyl chloride; 3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-N-phenacyl-propionamide Formula: C28H36ClNO4S MolecularWeight: 518.10774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(=O)NCC(=O)C2=CC=CC=C2.C=CC(=O)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(=O)NCC(=O)C2=CC=CC=C2.C=CC(=O)Cl

InChI

InChI=1S/C25H33NO3S.C3H3ClO/c1-24(2,3)19-14-18(15-20(23(19)29)25(4,5)6)30-13-12-22(28)26-16-21(27)17-10-8-7-9-11-17;1-2-3(4)5/h7-11,14-15,29H,12-13,16H2,1-6H3,(H,26,28);2H,1H2