(2-methoxy-5-pyrrolidin-1-ylcarbothioyl-phenyl) 3,4-dimethoxybenzoate

Systemtic Name: (2-methoxy-5-pyrrolidin-1-ylcarbothioyl-phenyl) 3,4-dimethoxybenzoate Openeye Name: [2-methoxy-5-(pyrrolidine-1-carbothioyl)phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-methoxy-5-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(pyrrolidine-1-carbothioyl)phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-methoxy-5-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-24-16-9-7-15(13-18(16)26-3)21(23)27-19-12-14(6-8-17(19)25-2)20(28)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11H2,1-3H3