1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]pyrrolidine-3-carboxylic acid Formula: C23H24N2O5S MolecularWeight: 440.51206

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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)N3CCC(C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCC(C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O5S/c1-14(2)18-6-4-5-7-20(18)31-21-9-8-16(12-19(21)25(29)30)15(3)22(26)24-11-10-17(13-24)23(27)28/h4-9,12,14,17H,3,10-11,13H2,1-2H3,(H,27,28)