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

Systemtic Name: ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H25N3O6S MolecularWeight: 531.5796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C28H25N3O6S/c1-2-35-27(34)19-9-11-21(12-10-19)29-26(33)24-15-25(32)31(28(38-24)30-20-6-4-3-5-7-20)16-18-8-13-22-23(14-18)37-17-36-22/h3-14,24H,2,15-17H2,1H3,(H,29,33)