(4-pyrrolidin-1-ylcarbothioylphenyl) 3,4-dimethoxybenzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbothioylphenyl) 3,4-dimethoxybenzoate Openeye Name: [4-(pyrrolidine-1-carbothioyl)phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(pyrrolidine-1-carbothioyl)phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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