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

Systemtic Name: S-[2-[(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl] ester Formula: C14H13N3O4S2 MolecularWeight: 351.40072

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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-])CC=C

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4S2/c1-3-6-16-11-5-4-10(17(20)21)7-12(11)23-14(16)15-13(19)8-22-9(2)18/h3-5,7H,1,6,8H2,2H3