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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(C(C3)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(C(C3)C(=O)OC)C)[N+](=O)[O-]

InChI

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