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

Systemtic Name: S-[2-[(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl] ester Formula: C13H13N3O4S2 MolecularWeight: 339.39002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSC(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSC(=O)C

InChI

InChI=1S/C13H13N3O4S2/c1-3-15-10-5-4-9(16(19)20)6-11(10)22-13(15)14-12(18)7-21-8(2)17/h4-6H,3,7H2,1-2H3