4-[[2-[5-ethanoyl-2-(ethylamino)phenyl]imino-4-oxidanylidene-1,3-thiazolidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-[5-ethanoyl-2-(ethylamino)phenyl]imino-4-oxidanylidene-1,3-thiazolidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[2-[5-acetyl-2-(ethylamino)phenyl]imino-4-oxo-thiazolidin-3-yl]methyl]benzoic acid CAS Name: 4-[[2-[5-acetyl-2-(ethylamino)phenyl]imino-4-oxo-3-thiazolidinyl]methyl]benzoic acid IUPAC Name: 4-[[2-[5-acetyl-2-(ethylamino)phenyl]imino-4-oxo-1,3-thiazolidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[2-[5-acetyl-2-(ethylamino)phenyl]imino-4-keto-thiazolidin-3-yl]methyl]benzoic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)C)N=C2N(C(=O)CS2)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)C)N=C2N(C(=O)CS2)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21N3O4S/c1-3-22-17-9-8-16(13(2)25)10-18(17)23-21-24(19(26)12-29-21)11-14-4-6-15(7-5-14)20(27)28/h4-10,22H,3,11-12H2,1-2H3,(H,27,28)