4-[(5Z)-5-(1-hexyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[(5Z)-5-(1-hexyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-5-(1-hexyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-5-(1-hexyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-5-(1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-5-(1-hexyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C21H24N2O4S2 MolecularWeight: 432.55626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)CCCC(=O)O)C1=O

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)CCCC(=O)O)/C1=O

InChI

InChI=1S/C21H24N2O4S2/c1-2-3-4-7-12-22-15-10-6-5-9-14(15)17(19(22)26)18-20(27)23(21(28)29-18)13-8-11-16(24)25/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,24,25)/b18-17-