5-[(3-ethoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-[(3-ethoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[(3-ethoxy-2-hydroxy-5-nitro-phenyl)methylene]-3-isobutyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-(3-ethoxy-2-hydroxy-5-nitro-benzylidene)-3-isobutyl-2-thioxo-thiazolidin-4-one Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)CC(C)C)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)CC(C)C)O

InChI

InChI=1S/C16H18N2O5S2/c1-4-23-12-7-11(18(21)22)5-10(14(12)19)6-13-15(20)17(8-9(2)3)16(24)25-13/h5-7,9,19H,4,8H2,1-3H3