4-[[5-[(3,4-dimethylphenyl)methyl]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Systemtic Name: 4-[[5-[(3,4-dimethylphenyl)methyl]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 4-[[3-allyl-5-[(3,4-dimethylphenyl)methyl]-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 4-[[5-[(3,4-dimethylphenyl)methyl]-4-oxo-3-prop-2-enyl-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 4-[[5-[(3,4-dimethylphenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 4-[[3-allyl-5-(3,4-dimethylbenzyl)-4-keto-thiazolidin-2-ylidene]amino]benzoic acid Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)CC=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)CC=C)C

InChI

InChI=1S/C22H22N2O3S/c1-4-11-24-20(25)19(13-16-6-5-14(2)15(3)12-16)28-22(24)23-18-9-7-17(8-10-18)21(26)27/h4-10,12,19H,1,11,13H2,2-3H3,(H,26,27)