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

Systemtic Name: methyl 2-acetamido-6-[4-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-3-yl]hexanoate Openeye Name: methyl 2-acetamido-6-[4-oxo-2-(4-pyrrolidin-1-ylphenyl)thiazolidin-3-yl]hexanoate CAS Name: 2-acetamido-6-[4-oxo-2-[4-(1-pyrrolidinyl)phenyl]-3-thiazolidinyl]hexanoic acid methyl ester IUPAC Name: methyl 2-acetamido-6-[4-oxo-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 2-acetamido-6-[4-keto-2-(4-pyrrolidinophenyl)thiazolidin-3-yl]hexanoic acid methyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN1C(SCC1=O)C2=CC=C(C=C2)N3CCCC3)C(=O)OC

Isomeric SMILES

CC(=O)NC(CCCCN1C(SCC1=O)C2=CC=C(C=C2)N3CCCC3)C(=O)OC

InChI

InChI=1S/C22H31N3O4S/c1-16(26)23-19(22(28)29-2)7-3-4-14-25-20(27)15-30-21(25)17-8-10-18(11-9-17)24-12-5-6-13-24/h8-11,19,21H,3-7,12-15H2,1-2H3,(H,23,26)