[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C12H10N4O5S2 MolecularWeight: 354.3616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)CSC2=NN=C(S2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)CSC2=NN=C(S2)N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5S2/c13-11-14-15-12(23-11)22-6-10(18)21-5-9(17)7-1-3-8(4-2-7)16(19)20/h1-4H,5-6H2,(H2,13,14)