3-[2-(3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3,4-dihydroquinolin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-(3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3,4-dihydroquinolin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-(3-cyclohexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-3,4-dihydroquinolin-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-(3-cyclohexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-3,4-dihydroquinolin-1-yl]-1-propanesulfonic acid IUPAC Name: 3-[2-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3,4-dihydroquinolin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-(3-cyclohexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-3,4-dihydroquinolin-1-yl]propane-1-sulfonic acid Formula: C21H26N2O4S3 MolecularWeight: 466.63714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=C3CCC4=CC=CC=C4N3CCCS(=O)(=O)O)SC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=C3CCC4=CC=CC=C4N3CCCS(=O)(=O)O)SC2=S

InChI

InChI=1S/C21H26N2O4S3/c24-20-19(29-21(28)23(20)16-8-2-1-3-9-16)18-12-11-15-7-4-5-10-17(15)22(18)13-6-14-30(25,26)27/h4-5,7,10,16H,1-3,6,8-9,11-14H2,(H,25,26,27)