(3-morpholin-4-ylcarbothioylphenyl) 3,4-dimethoxybenzoate

Systemtic Name: (3-morpholin-4-ylcarbothioylphenyl) 3,4-dimethoxybenzoate Openeye Name: [3-(morpholine-4-carbothioyl)phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [3-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [3-(morpholine-4-carbothioyl)phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [3-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=S)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=S)N3CCOCC3)OC

InChI

InChI=1S/C20H21NO5S/c1-23-17-7-6-15(13-18(17)24-2)20(22)26-16-5-3-4-14(12-16)19(27)21-8-10-25-11-9-21/h3-7,12-13H,8-11H2,1-2H3