11-[(5Z)-5-(1-butyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Systemtic Name: 11-[(5Z)-5-(1-butyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5Z)-5-(1-butyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5Z)-5-(1-butyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5Z)-5-(1-butyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C26H34N2O4S2 MolecularWeight: 502.68916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C1=O

Isomeric SMILES

CCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)/C1=O

InChI

InChI=1S/C26H34N2O4S2/c1-2-3-17-27-20-15-12-11-14-19(20)22(24(27)31)23-25(32)28(26(33)34-23)18-13-9-7-5-4-6-8-10-16-21(29)30/h11-12,14-15H,2-10,13,16-18H2,1H3,(H,29,30)/b23-22-