[3-(4-nitrophenyl)carbonyl-2-sulfanylidene-1,3-thiazol-4-yl] 4-nitrobenzoate

Systemtic Name: [3-(4-nitrophenyl)carbonyl-2-sulfanylidene-1,3-thiazol-4-yl] 4-nitrobenzoate Openeye Name: [3-(4-nitrobenzoyl)-2-thioxo-thiazol-4-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-[(4-nitrophenyl)-oxomethyl]-2-sulfanylidene-4-thiazolyl] ester IUPAC Name: [3-(4-nitrobenzoyl)-2-sulfanylidene-1,3-thiazol-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(4-nitrobenzoyl)-2-thioxo-4-thiazolin-4-yl] ester Formula: C17H9N3O7S2 MolecularWeight: 431.39926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N2C(=CSC2=S)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N2C(=CSC2=S)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H9N3O7S2/c21-15(10-1-5-12(6-2-10)19(23)24)18-14(9-29-17(18)28)27-16(22)11-3-7-13(8-4-11)20(25)26/h1-9H