(2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 4-methylbenzoate

Systemtic Name: (2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 4-methylbenzoate Openeye Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-methoxy-5-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=S)N3CCOCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=S)N3CCOCC3)OC

InChI

InChI=1S/C20H21NO4S/c1-14-3-5-15(6-4-14)20(22)25-18-13-16(7-8-17(18)23-2)19(26)21-9-11-24-12-10-21/h3-8,13H,9-12H2,1-2H3