methyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[(4-keto-2-phenylimino-3-piperonyl-1,3-thiazinane-6-carbonyl)amino]benzoic acid methyl ester Formula: C27H23N3O6S MolecularWeight: 517.55302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23N3O6S/c1-34-26(33)18-8-10-20(11-9-18)28-25(32)23-14-24(31)30(27(37-23)29-19-5-3-2-4-6-19)15-17-7-12-21-22(13-17)36-16-35-21/h2-13,23H,14-16H2,1H3,(H,28,32)