[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C13H10ClN3O5S2 MolecularWeight: 387.8186

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H10ClN3O5S2/c1-23-7-2-3-9(14)8(4-7)12(19)22-6-10(18)16-13-15-5-11(24-13)17(20)21/h2-5H,6H2,1H3,(H,15,16,18)