methyl 2-acetamido-6-[2-(1,3-benzodioxol-4-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: methyl 2-acetamido-6-[2-(1,3-benzodioxol-4-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: methyl 2-acetamido-6-[2-(1,3-benzodioxol-4-yl)-4-oxo-thiazolidin-3-yl]hexanoate CAS Name: 2-acetamido-6-[2-(1,3-benzodioxol-4-yl)-4-oxo-3-thiazolidinyl]hexanoic acid methyl ester IUPAC Name: methyl 2-acetamido-6-[2-(1,3-benzodioxol-4-yl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 2-acetamido-6-[2-(1,3-benzodioxol-4-yl)-4-keto-thiazolidin-3-yl]hexanoic acid methyl ester Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN1C(SCC1=O)C2=C3C(=CC=C2)OCO3)C(=O)OC

Isomeric SMILES

CC(=O)NC(CCCCN1C(SCC1=O)C2=C3C(=CC=C2)OCO3)C(=O)OC

InChI

InChI=1S/C19H24N2O6S/c1-12(22)20-14(19(24)25-2)7-3-4-9-21-16(23)10-28-18(21)13-6-5-8-15-17(13)27-11-26-15/h5-6,8,14,18H,3-4,7,9-11H2,1-2H3,(H,20,22)