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

Systemtic Name: ethyl 1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperidine-3-carboxylate CAS Name: 1-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperidine-3-carboxylate Traditional Name: 1-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]nipecotic acid ethyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H30N2O5S/c1-5-33-26(30)20-9-8-14-27(16-20)25(29)18(4)19-12-13-24(22(15-19)28(31)32)34-23-11-7-6-10-21(23)17(2)3/h6-7,10-13,15,17,20H,4-5,8-9,14,16H2,1-3H3