4-[[3-ethyl-2-(4-methoxycarbonylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[[3-ethyl-2-(4-methoxycarbonylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Openeye Name: 4-[[3-ethyl-2-(4-methoxycarbonylphenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]benzoic acid CAS Name: 4-[[3-ethyl-2-(4-methoxycarbonylphenyl)imino-4-oxo-5-thiazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[[3-ethyl-2-(4-methoxycarbonylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Traditional Name: 4-[[2-(4-carbomethoxyphenyl)imino-3-ethyl-4-keto-thiazolidin-5-ylidene]methyl]benzoic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)SC1=NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)SC1=NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H18N2O5S/c1-3-23-18(24)17(12-13-4-6-14(7-5-13)19(25)26)29-21(23)22-16-10-8-15(9-11-16)20(27)28-2/h4-12H,3H2,1-2H3,(H,25,26)