methyl 2-[2-[(5S)-3-(4-oxidanylbutyl)-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(5S)-3-(4-oxidanylbutyl)-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(5S)-3-(4-hydroxybutyl)-4-oxo-2-phenylimino-thiazolidin-5-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[(5S)-3-(4-hydroxybutyl)-4-oxo-2-phenylimino-5-thiazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5S)-3-(4-hydroxybutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5S)-3-(4-hydroxybutyl)-4-keto-2-phenylimino-thiazolidin-5-yl]acetyl]amino]benzoic acid methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CC2C(=O)N(C(=NC3=CC=CC=C3)S2)CCCCO

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[C@H]2C(=O)N(C(=NC3=CC=CC=C3)S2)CCCCO

InChI

InChI=1S/C23H25N3O5S/c1-31-22(30)17-11-5-6-12-18(17)25-20(28)15-19-21(29)26(13-7-8-14-27)23(32-19)24-16-9-3-2-4-10-16/h2-6,9-12,19,27H,7-8,13-15H2,1H3,(H,25,28)/t19-/m0/s1