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

Systemtic Name: 2-[5-(1-heptyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 2-[5-(1-heptyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 2-[5-(1-heptyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 2-[5-(1-heptyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 2-[5-(1-heptyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionate Formula: C21H23N2O4S2- MolecularWeight: 431.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)C(C)C(=O)[O-])C1=O

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)C(C)C(=O)[O-])C1=O

InChI

InChI=1S/C21H24N2O4S2/c1-3-4-5-6-9-12-22-15-11-8-7-10-14(15)16(18(22)24)17-19(25)23(21(28)29-17)13(2)20(26)27/h7-8,10-11,13H,3-6,9,12H2,1-2H3,(H,26,27)/p-1