2-azanyl-3-[(5Z)-5-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)hexanoyl]benzoic acid

Systemtic Name: 2-azanyl-3-[(5Z)-5-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)hexanoyl]benzoic acid Openeye Name: 2-amino-3-[(5Z)-5-(4-oxo-2-thioxo-thiazolidin-5-ylidene)hexanoyl]benzoic acid CAS Name: 2-amino-3-[(5Z)-1-oxo-5-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)hexyl]benzoic acid IUPAC Name: 2-amino-3-[(5Z)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)hexanoyl]benzoic acid Traditional Name: 2-amino-3-[(5Z)-5-(4-keto-2-thioxo-thiazolidin-5-ylidene)hexanoyl]benzoic acid Formula: C16H16N2O4S2 MolecularWeight: 364.43924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=S)S1)CCCC(=O)C2=C(C(=CC=C2)C(=O)O)N

Isomeric SMILES

C/C(=C/1\C(=O)NC(=S)S1)/CCCC(=O)C2=C(C(=CC=C2)C(=O)O)N

InChI

InChI=1S/C16H16N2O4S2/c1-8(13-14(20)18-16(23)24-13)4-2-7-11(19)9-5-3-6-10(12(9)17)15(21)22/h3,5-6H,2,4,7,17H2,1H3,(H,21,22)(H,18,20,23)/b13-8-