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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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