S-[2-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]ethyl] ester Formula: C12H11N3O4S2 MolecularWeight: 325.36344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H11N3O4S2/c1-7(16)20-6-11(17)13-12-14(2)9-4-3-8(15(18)19)5-10(9)21-12/h3-5H,6H2,1-2H3