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

Systemtic Name: methyl 4-[[(2Z)-2-(3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)ethanoyl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-4-6-12-22-21-24(13-7-5-2)19(26)17(29-21)14-18(25)23-16-10-8-15(9-11-16)20(27)28-3/h8-11,14H,4-7,12-13H2,1-3H3,(H,23,25)/b17-14-,22-21?