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

Systemtic Name: (2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 4-methoxybenzoate Openeye Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-methoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4S/c1-23-16-8-5-14(6-9-16)20(22)25-17-10-7-15(13-18(17)24-2)19(26)21-11-3-4-12-21/h5-10,13H,3-4,11-12H2,1-2H3