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

Systemtic Name: ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)imino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[2-(3-chlorophenyl)imino-4-keto-3-piperonyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid ethyl ester Formula: C28H24ClN3O6S MolecularWeight: 566.02466

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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)Cl)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)Cl)S2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H24ClN3O6S/c1-2-36-27(35)18-7-9-20(10-8-18)30-26(34)24-14-25(33)32(15-17-6-11-22-23(12-17)38-16-37-22)28(39-24)31-21-5-3-4-19(29)13-21/h3-13,24H,2,14-16H2,1H3,(H,30,34)