S-[2-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C12H11N3O5S2 MolecularWeight: 341.36284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=NC2=C(C=C(C=C2S1)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)SCC(=O)NC1=NC2=C(C=C(C=C2S1)[N+](=O)[O-])OC

InChI

InChI=1S/C12H11N3O5S2/c1-6(16)21-5-10(17)13-12-14-11-8(20-2)3-7(15(18)19)4-9(11)22-12/h3-4H,5H2,1-2H3,(H,13,14,17)