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

Systemtic Name: tert-butyl 4-[2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[(2,4-dichlorophenyl)thio]-3-nitrophenyl]-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[(2,4-dichlorophenyl)thio]-3-nitro-phenyl]acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H25Cl2N3O5S MolecularWeight: 538.4434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H25Cl2N3O5S/c1-15(22(30)27-9-11-28(12-10-27)23(31)34-24(2,3)4)16-5-7-21(19(13-16)29(32)33)35-20-8-6-17(25)14-18(20)26/h5-8,13-14H,1,9-12H2,2-4H3