(2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3-methylbenzoate

Systemtic Name: (2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3-methylbenzoate Openeye Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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