(2-chloranyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3-nitrobenzoate

Systemtic Name: (2-chloranyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3-nitrobenzoate Openeye Name: [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-chloro-6-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H19ClN2O6S MolecularWeight: 450.89266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O6S/c1-2-28-17-12-14(19(30)22-6-8-27-9-7-22)11-16(21)18(17)29-20(24)13-4-3-5-15(10-13)23(25)26/h3-5,10-12H,2,6-9H2,1H3