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

Systemtic Name: 3-[5-[(E)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic acid Formula: C18H13NO4S2 MolecularWeight: 371.43012

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)SC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C\C2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)/SC1=S

InChI

InChI=1S/C18H13NO4S2/c1-2-8-19-16(20)15(25-18(19)24)10-13-6-7-14(23-13)11-4-3-5-12(9-11)17(21)22/h2-7,9-10H,1,8H2,(H,21,22)/b15-10+