methyl 2-[2-(3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazolidin-5-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazolidin-5-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(3-butyl-2-butylimino-4-oxo-thiazolidin-5-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(3-butyl-2-butylimino-4-oxo-5-thiazolidinyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(3-butyl-2-butylimino-4-keto-thiazolidin-5-yl)acetyl]amino]benzoic acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1N(C(=O)C(S1)CC(=O)NC2=CC=CC=C2C(=O)OC)CCCC

Isomeric SMILES

CCCCN=C1N(C(=O)C(S1)CC(=O)NC2=CC=CC=C2C(=O)OC)CCCC

InChI

InChI=1S/C21H29N3O4S/c1-4-6-12-22-21-24(13-7-5-2)19(26)17(29-21)14-18(25)23-16-11-9-8-10-15(16)20(27)28-3/h8-11,17H,4-7,12-14H2,1-3H3,(H,23,25)