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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)CC=C

Isomeric SMILES

CCC1=CC=C(C=C1)CC2C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)CC=C

InChI

InChI=1S/C22H22N2O3S/c1-3-13-24-20(25)19(14-16-7-5-15(4-2)6-8-16)28-22(24)23-18-11-9-17(10-12-18)21(26)27/h3,5-12,19H,1,4,13-14H2,2H3,(H,26,27)