O1-tert-butyl O3-methyl 4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-methyl 4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-methyl 4-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperazine-1,3-dicarboxylate CAS Name: 4-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]piperazine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester IUPAC Name: 1-O-tert-butyl 3-O-methyl 4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-1,3-dicarboxylate Traditional Name: 4-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester Formula: C29H35N3O7S MolecularWeight: 569.6691

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3C(=O)OC)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3C(=O)OC)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C29H35N3O7S/c1-18(2)21-10-8-9-11-24(21)40-25-13-12-20(16-22(25)32(36)37)19(3)26(33)31-15-14-30(17-23(31)27(34)38-7)28(35)39-29(4,5)6/h8-13,16,18,23H,3,14-15,17H2,1-2,4-7H3