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

Systemtic Name: ethyl 4-[2-[(5R)-3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5R)-3-butyl-2-butylimino-4-oxo-thiazolidin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5R)-3-butyl-2-butylimino-4-oxo-5-thiazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5R)-3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5R)-3-butyl-2-butylimino-4-keto-thiazolidin-5-yl]acetyl]amino]benzoic acid ethyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1N(C(=O)C(S1)CC(=O)NC2=CC=C(C=C2)C(=O)OCC)CCCC

Isomeric SMILES

CCCCN=C1N(C(=O)[C@H](S1)CC(=O)NC2=CC=C(C=C2)C(=O)OCC)CCCC

InChI

InChI=1S/C22H31N3O4S/c1-4-7-13-23-22-25(14-8-5-2)20(27)18(30-22)15-19(26)24-17-11-9-16(10-12-17)21(28)29-6-3/h9-12,18H,4-8,13-15H2,1-3H3,(H,24,26)/t18-/m1/s1