ethyl 4-[[(2Z)-2-(3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2Z)-2-(3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2Z)-2-(3-butyl-2-butylimino-4-oxo-thiazolidin-5-ylidene)acetyl]amino]benzoate CAS Name: 4-[[(2Z)-2-(3-butyl-2-butylimino-4-oxo-5-thiazolidinylidene)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2Z)-2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetyl]amino]benzoate Traditional Name: 4-[[(2Z)-2-(3-butyl-2-butylimino-4-keto-thiazolidin-5-ylidene)acetyl]amino]benzoic acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/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/h9-12,15H,4-8,13-14H2,1-3H3,(H,24,26)/b18-15-,23-22?