ethyl 4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O5S/c1-4-33-25(30)27-15-13-26(14-16-27)24(29)12-10-19-9-11-23(21(17-19)28(31)32)34-22-8-6-5-7-20(22)18(2)3/h5-12,17-18H,4,13-16H2,1-3H3/b12-10+