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

Systemtic Name: methyl 2-acetamido-6-[2-(1-methylpyrrol-2-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: methyl 2-acetamido-6-[2-(1-methylpyrrol-2-yl)-4-oxo-thiazolidin-3-yl]hexanoate CAS Name: 2-acetamido-6-[2-(1-methyl-2-pyrrolyl)-4-oxo-3-thiazolidinyl]hexanoic acid methyl ester IUPAC Name: methyl 2-acetamido-6-[2-(1-methylpyrrol-2-yl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 2-acetamido-6-[4-keto-2-(1-methylpyrrol-2-yl)thiazolidin-3-yl]hexanoic acid methyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN1C(SCC1=O)C2=CC=CN2C)C(=O)OC

Isomeric SMILES

CC(=O)NC(CCCCN1C(SCC1=O)C2=CC=CN2C)C(=O)OC

InChI

InChI=1S/C17H25N3O4S/c1-12(21)18-13(17(23)24-3)7-4-5-10-20-15(22)11-25-16(20)14-8-6-9-19(14)2/h6,8-9,13,16H,4-5,7,10-11H2,1-3H3,(H,18,21)