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

Systemtic Name: methyl 4-[(Z)-(3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate Openeye Name: methyl 4-[(Z)-(3-butyl-2-butylimino-4-oxo-thiazolidin-5-ylidene)methyl]benzoate CAS Name: 4-[(Z)-(3-butyl-2-butylimino-4-oxo-5-thiazolidinylidene)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate Traditional Name: 4-[(Z)-(3-butyl-2-butylimino-4-keto-thiazolidin-5-ylidene)methyl]benzoic acid methyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1N(C(=O)C(=CC2=CC=C(C=C2)C(=O)OC)S1)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-4-6-12-21-20-22(13-7-5-2)18(23)17(26-20)14-15-8-10-16(11-9-15)19(24)25-3/h8-11,14H,4-7,12-13H2,1-3H3/b17-14-,21-20?