2-[5-(5-butyl-2-oxidanylidene-1H-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid

Systemtic Name: 2-[5-(5-butyl-2-oxidanylidene-1H-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[5-(5-butyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[5-(5-butyl-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[5-(5-butyl-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-[5-(5-butyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C17H18N2O5S3 MolecularWeight: 426.53022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=O)C2=C3C(=O)N(C(=S)S3)CCS(=O)(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=O)C2=C3C(=O)N(C(=S)S3)CCS(=O)(=O)O

InChI

InChI=1S/C17H18N2O5S3/c1-2-3-4-10-5-6-12-11(9-10)13(15(20)18-12)14-16(21)19(17(25)26-14)7-8-27(22,23)24/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)(H,22,23,24)