N,N-diethylethanamine; 3-[(5E)-5-(1-ethyl-6-methyl-quinolin-2-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Systemtic Name: N,N-diethylethanamine; 3-[(5E)-5-(1-ethyl-6-methyl-quinolin-2-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: N,N-diethylethanamine; 3-[(5E)-5-(1-ethyl-6-methyl-2-quinolylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: N,N-diethylethanamine; 3-[(5E)-5-(1-ethyl-6-methyl-2-quinolinylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: N,N-diethylethanamine; 3-[(5E)-5-(1-ethyl-6-methylquinolin-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5E)-5-(1-ethyl-6-methyl-2-quinolylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid; triethylamine Formula: C28H33N3O3S2 MolecularWeight: 523.70992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC1=C3C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O)C=C(C=C2)C.CCN(CC)CC

Isomeric SMILES

CCN\1C2=C(C=C/C1=C\3/C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O)C=C(C=C2)C.CCN(CC)CC

InChI

InChI=1S/C22H18N2O3S2.C6H15N/c1-3-23-17-9-7-13(2)11-14(17)8-10-18(23)19-20(25)24(22(28)29-19)16-6-4-5-15(12-16)21(26)27;1-4-7(5-2)6-3/h4-12H,3H2,1-2H3,(H,26,27);4-6H2,1-3H3/b19-18+;