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

Systemtic Name: 3-methyl-4-[5-[(E)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[(E)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-furyl]-3-methyl-benzoic acid CAS Name: 3-methyl-4-[5-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 3-methyl-4-[5-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[(E)-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-furyl]-3-methyl-benzoic acid Formula: C19H15NO4S2 MolecularWeight: 385.4567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CC=C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)CC=C

InChI

InChI=1S/C19H15NO4S2/c1-3-8-20-17(21)16(26-19(20)25)10-13-5-7-15(24-13)14-6-4-12(18(22)23)9-11(14)2/h3-7,9-10H,1,8H2,2H3,(H,22,23)/b16-10+