[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-hydroxy-4-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-4-(2-thienylsulfonylamino)benzoic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C20H14N4O8S3 MolecularWeight: 534.54216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CSC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C20H14N4O8S3/c25-15-8-11(23-35(30,31)18-2-1-7-33-18)3-5-13(15)19(27)32-10-17(26)22-20-21-14-6-4-12(24(28)29)9-16(14)34-20/h1-9,23,25H,10H2,(H,21,22,26)