methyl (2Z)-2-hydroxyimino-6-methyl-3-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethanoyl]-4-oxidanylidene-hept-5-enoate

Systemtic Name: methyl (2Z)-2-hydroxyimino-6-methyl-3-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethanoyl]-4-oxidanylidene-hept-5-enoate Openeye Name: methyl (2Z)-2-hydroxyimino-6-methyl-3-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-acetyl]-4-oxo-hept-5-enoate CAS Name: (2Z)-2-hydroxyimino-6-methyl-3-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1,2-dioxoethyl]-4-oxo-5-heptenoic acid methyl ester IUPAC Name: methyl (2Z)-2-hydroxyimino-6-methyl-3-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoacetyl]-4-oxohept-5-enoate Traditional Name: (2Z)-2-hydroximino-4-keto-3-[2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]acetyl]-6-methyl-hept-5-enoic acid methyl ester Formula: C18H16N4O8S MolecularWeight: 448.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C(C(=NO)C(=O)OC)C(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(=CC(=O)C(/C(=N/O)/C(=O)OC)C(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H16N4O8S/c1-8(2)6-11(23)13(14(21-27)17(26)30-3)15(24)16(25)20-18-19-10-5-4-9(22(28)29)7-12(10)31-18/h4-7,13,27H,1-3H3,(H,19,20,25)/b21-14-