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

Systemtic Name: 4-[(5Z)-4-oxidanylidene-5-(2-oxidanylidene-1-pentyl-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-4-oxo-5-(2-oxo-1-pentyl-indolin-3-ylidene)-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-4-oxo-5-(2-oxo-1-pentyl-3-indolylidene)-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-4-oxo-5-(2-oxo-1-pentylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-5-(1-amyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)CCCC(=O)O)C1=O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)CCCC(=O)O)/C1=O

InChI

InChI=1S/C20H22N2O4S2/c1-2-3-6-11-21-14-9-5-4-8-13(14)16(18(21)25)17-19(26)22(20(27)28-17)12-7-10-15(23)24/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,23,24)/b17-16-