3-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)imino-4-oxidanylidene-1,3-thiazinane-6-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)imino-4-oxidanylidene-1,3-thiazinane-6-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid Traditional Name: 2-(4-chlorophenyl)imino-4-keto-3-piperonyl-1,3-thiazinane-6-carboxylic acid Formula: C19H15ClN2O5S MolecularWeight: 418.8508

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=NC2=CC=C(C=C2)Cl)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1C(SC(=NC2=CC=C(C=C2)Cl)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C19H15ClN2O5S/c20-12-2-4-13(5-3-12)21-19-22(17(23)8-16(28-19)18(24)25)9-11-1-6-14-15(7-11)27-10-26-14/h1-7,16H,8-10H2,(H,24,25)