2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoic acid

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxo-thiazolidin-5-yl]acetic acid CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxo-5-thiazolidinyl]acetic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid Traditional Name: 2-(4-keto-3-piperonyl-2-p-phenetylimino-thiazolidin-5-yl)acetic 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)C(S2)CC(=O)O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=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(20(26)18(30-21)10-19(24)25)11-13-3-8-16-17(9-13)29-12-28-16/h3-9,18H,2,10-12H2,1H3,(H,24,25)