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

Systemtic Name: (2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3-nitrobenzoate Openeye Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6S/c1-2-27-18-13-14(19(29)21-8-10-26-11-9-21)6-7-17(18)28-20(23)15-4-3-5-16(12-15)22(24)25/h3-7,12-13H,2,8-11H2,1H3