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

Systemtic Name: methyl 2-acetamido-6-[2-(1-methylindol-3-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: methyl 2-acetamido-6-[2-(1-methylindol-3-yl)-4-oxo-thiazolidin-3-yl]hexanoate CAS Name: 2-acetamido-6-[2-(1-methyl-3-indolyl)-4-oxo-3-thiazolidinyl]hexanoic acid methyl ester IUPAC Name: methyl 2-acetamido-6-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 2-acetamido-6-[4-keto-2-(1-methylindol-3-yl)thiazolidin-3-yl]hexanoic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN1C(SCC1=O)C2=CN(C3=CC=CC=C32)C)C(=O)OC

Isomeric SMILES

CC(=O)NC(CCCCN1C(SCC1=O)C2=CN(C3=CC=CC=C32)C)C(=O)OC

InChI

InChI=1S/C21H27N3O4S/c1-14(25)22-17(21(27)28-3)9-6-7-11-24-19(26)13-29-20(24)16-12-23(2)18-10-5-4-8-15(16)18/h4-5,8,10,12,17,20H,6-7,9,11,13H2,1-3H3,(H,22,25)