(4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 3,4-dimethoxybenzoate

Systemtic Name: (4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 3,4-dimethoxybenzoate Openeye Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-bromo-2-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C20H20BrNO4S MolecularWeight: 450.3461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCC3)OC

InChI

InChI=1S/C20H20BrNO4S/c1-24-17-7-5-13(11-18(17)25-2)20(23)26-16-8-6-14(21)12-15(16)19(27)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3