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

Systemtic Name: S-[2-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]ethyl] ester Formula: C14H15N3O5S2 MolecularWeight: 369.416

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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-])CCOC

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5S2/c1-9(18)23-8-13(19)15-14-16(5-6-22-2)11-4-3-10(17(20)21)7-12(11)24-14/h3-4,7H,5-6,8H2,1-2H3