methyl 2-[1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]piperazin-2-yl]acetic acid methyl ester Formula: C16H16N4O6S2 MolecularWeight: 424.45144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O6S2/c1-26-14(22)7-11-15(23)17-4-5-19(11)13(21)8-27-16-18-10-3-2-9(20(24)25)6-12(10)28-16/h2-3,6,11H,4-5,7-8H2,1H3,(H,17,23)