3-[[(6R)-2-azanylidene-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate

Systemtic Name: 3-[[(6R)-2-azanylidene-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: 3-[[(6R)-3-[(Z)-1,3-benzodioxol-5-ylmethyleneamino]-2-imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 3-[[[(6R)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoate IUPAC Name: 3-[[(6R)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 3-[[(6R)-2-imino-4-keto-3-[(Z)-piperonylideneamino]-1,3-thiazinane-6-carbonyl]amino]benzoate Formula: C20H15N4O6S- MolecularWeight: 439.4213

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=N)N(C1=O)N=CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

C1[C@@H](SC(=N)N(C1=O)/N=C\C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C20H16N4O6S/c21-20-24(22-9-11-4-5-14-15(6-11)30-10-29-14)17(25)8-16(31-20)18(26)23-13-3-1-2-12(7-13)19(27)28/h1-7,9,16,21H,8,10H2,(H,23,26)(H,27,28)/p-1/b21-20?,22-9-/t16-/m1/s1