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

Systemtic Name: 3-[(5E)-5-(1-hexyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5E)-5-(1-hexyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5E)-5-(1-hexyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5E)-5-(1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5E)-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)CCC(=O)O)C1=O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S2/c1-2-3-4-7-11-21-14-9-6-5-8-13(14)16(18(21)25)17-19(26)22(20(27)28-17)12-10-15(23)24/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,23,24)/b17-16+