S-[2-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=NC2=C(S1)C(=O)CC(C2)(C)C

Isomeric SMILES

CC(=O)SCC(=O)NC1=NC2=C(S1)C(=O)CC(C2)(C)C

InChI

InChI=1S/C13H16N2O3S2/c1-7(16)19-6-10(18)15-12-14-8-4-13(2,3)5-9(17)11(8)20-12/h4-6H2,1-3H3,(H,14,15,18)