(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C20H20BrNO3S MolecularWeight: 434.3467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrNO3S/c21-17-7-9-18(10-8-17)26-14-19(23)25-13-15-3-5-16(6-4-15)20(24)22-11-1-2-12-22/h3-10H,1-2,11-14H2