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

Systemtic Name: 4-[[5-[(3-methylphenyl)methyl]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 4-[[3-allyl-5-(m-tolylmethyl)-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 4-[[5-[(3-methylphenyl)methyl]-4-oxo-3-prop-2-enyl-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 4-[[5-[(3-methylphenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 4-[[3-allyl-4-keto-5-(3-methylbenzyl)thiazolidin-2-ylidene]amino]benzoic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-3-11-23-19(24)18(13-15-6-4-5-14(2)12-15)27-21(23)22-17-9-7-16(8-10-17)20(25)26/h3-10,12,18H,1,11,13H2,2H3,(H,25,26)