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

Systemtic Name: 2-[(5Z)-5-(1-hexyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 2-[(5Z)-5-(1-hexyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 2-[(5Z)-5-(1-hexyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 2-[(5Z)-5-(1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 2-[(5Z)-5-(1-hexyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S2/c1-3-4-5-8-11-21-14-10-7-6-9-13(14)15(17(21)23)16-18(24)22(20(27)28-16)12(2)19(25)26/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,25,26)/b16-15-