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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)CCC(=O)O)C1=O

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2/C(=C\3/C(=O)N(C(=S)S3)CCC(=O)O)/C1=O

InChI

InChI=1S/C21H24N2O4S2/c1-2-3-4-5-8-12-22-15-10-7-6-9-14(15)17(19(22)26)18-20(27)23(21(28)29-18)13-11-16(24)25/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,24,25)/b18-17+