N-[1-[2-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]prop-2-enoyl]pyrrolidin-3-yl]ethanamide

Systemtic Name: N-[1-[2-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]prop-2-enoyl]pyrrolidin-3-yl]ethanamide Openeye Name: N-[1-[2-[4-(2-bromophenyl)sulfanyl-3-chloro-phenyl]prop-2-enoyl]pyrrolidin-3-yl]acetamide CAS Name: N-[1-[2-[4-[(2-bromophenyl)thio]-3-chlorophenyl]-1-oxoprop-2-enyl]-3-pyrrolidinyl]acetamide IUPAC Name: N-[1-[2-[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]prop-2-enoyl]pyrrolidin-3-yl]acetamide Traditional Name: N-[1-[2-[4-[(2-bromophenyl)thio]-3-chloro-phenyl]acryloyl]pyrrolidin-3-yl]acetamide Formula: C21H20BrClN2O2S MolecularWeight: 479.8177

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCN(C1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3Br)Cl

Isomeric SMILES

CC(=O)NC1CCN(C1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3Br)Cl

InChI

InChI=1S/C21H20BrClN2O2S/c1-13(21(27)25-10-9-16(12-25)24-14(2)26)15-7-8-20(18(23)11-15)28-19-6-4-3-5-17(19)22/h3-8,11,16H,1,9-10,12H2,2H3,(H,24,26)