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

Systemtic Name: 2-[[(5S)-4-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoate Openeye Name: 2-[[(5S)-3-allyl-5-(2-anilino-2-oxo-ethyl)-4-oxo-thiazolidin-2-ylidene]amino]benzoate CAS Name: 2-[[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-3-prop-2-enyl-2-thiazolidinylidene]amino]benzoate IUPAC Name: 2-[[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoate Traditional Name: 2-[[(5S)-3-allyl-5-(2-anilino-2-keto-ethyl)-4-keto-thiazolidin-2-ylidene]amino]benzoate Formula: C21H18N3O4S- MolecularWeight: 408.45032

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(SC1=NC2=CC=CC=C2C(=O)[O-])CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)[C@@H](SC1=NC2=CC=CC=C2C(=O)[O-])CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4S/c1-2-12-24-19(26)17(13-18(25)22-14-8-4-3-5-9-14)29-21(24)23-16-11-7-6-10-15(16)20(27)28/h2-11,17H,1,12-13H2,(H,22,25)(H,27,28)/p-1/t17-/m0/s1