ethyl 2-[2-[(5-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[(5-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[(5-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(5-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(5-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(5-nitro-1,3-benzothiazol-2-yl)amino]ethyl]thio]acetic acid ethyl ester Formula: C13H13N3O5S2 MolecularWeight: 355.38942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=NC2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=NC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5S2/c1-2-21-12(18)7-22-6-11(17)15-13-14-9-5-8(16(19)20)3-4-10(9)23-13/h3-5H,2,6-7H2,1H3,(H,14,15,17)