[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C17H15N5O7S3 MolecularWeight: 497.5253

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC=CC3=NSN=C32)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC=CC3=NSN=C32)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O7S3/c1-30-14-6-5-10(7-13(14)22(25)26)32(27,28)18-8-16(24)29-9-15(23)19-11-3-2-4-12-17(11)21-31-20-12/h2-7,18H,8-9H2,1H3,(H,19,23)