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

Systemtic Name: 4-[[4-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 4-[[3-allyl-5-(2-anilino-2-oxo-ethyl)-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 4-[[5-(2-anilino-2-oxoethyl)-4-oxo-3-prop-2-enyl-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 4-[[5-(2-anilino-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 4-[[3-allyl-5-(2-anilino-2-keto-ethyl)-4-keto-thiazolidin-2-ylidene]amino]benzoic acid Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(SC1=NC2=CC=C(C=C2)C(=O)O)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C(SC1=NC2=CC=C(C=C2)C(=O)O)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4S/c1-2-12-24-19(26)17(13-18(25)22-15-6-4-3-5-7-15)29-21(24)23-16-10-8-14(9-11-16)20(27)28/h2-11,17H,1,12-13H2,(H,22,25)(H,27,28)