3-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-yl)methylamino]benzoic acid

Systemtic Name: 3-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-yl)methylamino]benzoic acid Openeye Name: 3-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-yl)methylamino]benzoic acid CAS Name: 3-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinyl)methylamino]benzoic acid IUPAC Name: 3-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-yl)methylamino]benzoic acid Traditional Name: 3-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-yl)methylamino]benzoic acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(SC1=S)CNC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C=CCN1C(=O)C(SC1=S)CNC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H14N2O3S2/c1-2-6-16-12(17)11(21-14(16)20)8-15-10-5-3-4-9(7-10)13(18)19/h2-5,7,11,15H,1,6,8H2,(H,18,19)