tert-butyl 4-[2-(3-chloranyl-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-chloro-4-mercaptophenyl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-4-sulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-chloro-4-mercapto-phenyl)acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23ClN2O3S MolecularWeight: 382.90482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)Cl

InChI

InChI=1S/C18H23ClN2O3S/c1-12(13-5-6-15(25)14(19)11-13)16(22)20-7-9-21(10-8-20)17(23)24-18(2,3)4/h5-6,11,25H,1,7-10H2,2-4H3