(2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 2-bromanylbenzoate

Systemtic Name: (2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 2-bromanylbenzoate Openeye Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-methoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC=CC=C3Br

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C19H18BrNO3S/c1-23-17-12-13(18(25)21-10-4-5-11-21)8-9-16(17)24-19(22)14-6-2-3-7-15(14)20/h2-3,6-9,12H,4-5,10-11H2,1H3