ethyl 1-[2-[4-(3-bromophenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]pyrrolidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(3-bromophenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]pyrrolidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-(3-bromophenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]pyrrolidine-3-carboxylate CAS Name: 1-[2-[4-[(3-bromophenyl)thio]-3-nitrophenyl]-1-oxoprop-2-enyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(3-bromophenyl)sulfanyl-3-nitrophenyl]prop-2-enoyl]pyrrolidine-3-carboxylate Traditional Name: 1-[2-[4-[(3-bromophenyl)thio]-3-nitro-phenyl]acryloyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C22H21BrN2O5S MolecularWeight: 505.38154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(C1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(C1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H21BrN2O5S/c1-3-30-22(27)16-9-10-24(13-16)21(26)14(2)15-7-8-20(19(11-15)25(28)29)31-18-6-4-5-17(23)12-18/h4-8,11-12,16H,2-3,9-10,13H2,1H3