S-[2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[[5-(4-nitrophenyl)sulfonylthiazol-2-yl]amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[(5-nosylthiazol-2-yl)amino]ethyl] ester Formula: C13H11N3O6S3 MolecularWeight: 401.43794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCC(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6S3/c1-8(17)23-7-11(18)15-13-14-6-12(24-13)25(21,22)10-4-2-9(3-5-10)16(19)20/h2-6H,7H2,1H3,(H,14,15,18)