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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxidanylidene-1,3-thiazinane-6-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid Traditional Name: 4-keto-3-piperonyl-2-p-phenetylimino-1,3-thiazinane-6-carboxylic acid Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O6S/c1-2-27-15-6-4-14(5-7-15)22-21-23(19(24)10-18(30-21)20(25)26)11-13-3-8-16-17(9-13)29-12-28-16/h3-9,18H,2,10-12H2,1H3,(H,25,26)