(E)-3-(3-bromophenyl)-1-(3-propan-2-yloxyphenyl)sulfanyl-4-pyrrolidin-1-yl-but-3-en-2-one

Systemtic Name: (E)-3-(3-bromophenyl)-1-(3-propan-2-yloxyphenyl)sulfanyl-4-pyrrolidin-1-yl-but-3-en-2-one Openeye Name: (E)-3-(3-bromophenyl)-1-(3-isopropoxyphenyl)sulfanyl-4-pyrrolidin-1-yl-but-3-en-2-one CAS Name: (E)-3-(3-bromophenyl)-1-[(3-propan-2-yloxyphenyl)thio]-4-(1-pyrrolidinyl)-3-buten-2-one IUPAC Name: (E)-3-(3-bromophenyl)-1-(3-propan-2-yloxyphenyl)sulfanyl-4-pyrrolidin-1-ylbut-3-en-2-one Traditional Name: (E)-3-(3-bromophenyl)-1-[(3-isopropoxyphenyl)thio]-4-pyrrolidino-but-3-en-2-one Formula: C23H26BrNO2S MolecularWeight: 460.42704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=CC=C1)SCC(=O)C(=CN2CCCC2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)OC1=CC(=CC=C1)SCC(=O)/C(=C/N2CCCC2)/C3=CC(=CC=C3)Br

InChI

InChI=1S/C23H26BrNO2S/c1-17(2)27-20-9-6-10-21(14-20)28-16-23(26)22(15-25-11-3-4-12-25)18-7-5-8-19(24)13-18/h5-10,13-15,17H,3-4,11-12,16H2,1-2H3/b22-15+