N,N-diethylethanamine; 3-[(2Z)-2-(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1-yl]propane-1-sulfonic acid

Systemtic Name: N,N-diethylethanamine; 3-[(2Z)-2-(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1-yl]propane-1-sulfonic acid Openeye Name: N,N-diethylethanamine; 3-[(2Z)-2-(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-1-quinolyl]propane-1-sulfonic acid CAS Name: N,N-diethylethanamine; 3-[(2Z)-2-(3-methyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1-quinolinyl]-1-propanesulfonic acid IUPAC Name: N,N-diethylethanamine; 3-[(2Z)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-2-(4-keto-3-methyl-2-thioxo-thiazolidin-5-ylidene)-1-quinolyl]propane-1-sulfonic acid; triethylamine Formula: C22H31N3O4S3 MolecularWeight: 497.69424

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CN1C(=O)C(=C2C=CC3=CC=CC=C3N2CCCS(=O)(=O)O)SC1=S

Isomeric SMILES

CCN(CC)CC.CN1C(=O)/C(=C/2\C=CC3=CC=CC=C3N2CCCS(=O)(=O)O)/SC1=S

InChI

InChI=1S/C16H16N2O4S3.C6H15N/c1-17-15(19)14(24-16(17)23)13-8-7-11-5-2-3-6-12(11)18(13)9-4-10-25(20,21)22;1-4-7(5-2)6-3/h2-3,5-8H,4,9-10H2,1H3,(H,20,21,22);4-6H2,1-3H3/b14-13-;