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

Systemtic Name: (2-ethoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 3,4-dimethoxybenzoate Openeye Name: [2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-ethoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25NO5S/c1-4-27-20-13-15(21(29)23-11-5-6-12-23)7-10-18(20)28-22(24)16-8-9-17(25-2)19(14-16)26-3/h7-10,13-14H,4-6,11-12H2,1-3H3