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

Systemtic Name: (2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3-methylbenzoate Openeye Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H23NO4S/c1-3-25-19-14-16(20(27)22-9-11-24-12-10-22)7-8-18(19)26-21(23)17-6-4-5-15(2)13-17/h4-8,13-14H,3,9-12H2,1-2H3