2-[(E)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonic acid Openeye Name: 2-[(E)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]benzenesulfonic acid CAS Name: 2-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]benzenesulfonic acid IUPAC Name: 2-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonic acid Traditional Name: 2-[(E)-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]besylic acid Formula: C13H11NO4S3 MolecularWeight: 341.42574

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=CC=C2S(=O)(=O)O)SC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C\C2=CC=CC=C2S(=O)(=O)O)/SC1=S

InChI

InChI=1S/C13H11NO4S3/c1-2-7-14-12(15)10(20-13(14)19)8-9-5-3-4-6-11(9)21(16,17)18/h2-6,8H,1,7H2,(H,16,17,18)/b10-8+