methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloranyl-4-fluoranyl-phenyl)imino-4-oxidanylidene-1,3-thiazine-6-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloranyl-4-fluoranyl-phenyl)imino-4-oxidanylidene-1,3-thiazine-6-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-fluoro-phenyl)imino-4-oxo-1,3-thiazine-6-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-fluorophenyl)imino-4-oxo-1,3-thiazine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-fluorophenyl)imino-4-oxo-1,3-thiazine-6-carboxylate Traditional Name: 2-(3-chloro-4-fluoro-phenyl)imino-4-keto-3-piperonyl-1,3-thiazine-6-carboxylic acid methyl ester Formula: C20H14ClFN2O5S MolecularWeight: 448.851963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N(C(=NC2=CC(=C(C=C2)F)Cl)S1)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC(=O)N(C(=NC2=CC(=C(C=C2)F)Cl)S1)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H14ClFN2O5S/c1-27-19(26)17-8-18(25)24(9-11-2-5-15-16(6-11)29-10-28-15)20(30-17)23-12-3-4-14(22)13(21)7-12/h2-8H,9-10H2,1H3