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

Systemtic Name: 4-[(5Z)-5-(1-heptyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-5-(1-heptyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-5-(1-heptyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-5-(1-heptyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-5-(1-heptyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S2/c1-2-3-4-5-8-13-23-16-11-7-6-10-15(16)18(20(23)27)19-21(28)24(22(29)30-19)14-9-12-17(25)26/h6-7,10-11H,2-5,8-9,12-14H2,1H3,(H,25,26)/b19-18-