3-methoxycarbonyl-4-oxidanylidene-2-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanyl-1H-quinoline-7-carboxylic acid

Systemtic Name: 3-methoxycarbonyl-4-oxidanylidene-2-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanyl-1H-quinoline-7-carboxylic acid Openeye Name: 3-methoxycarbonyl-4-oxo-2-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanyl-1H-quinoline-7-carboxylic acid CAS Name: 3-methoxycarbonyl-4-oxo-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]thio]-1H-quinoline-7-carboxylic acid IUPAC Name: 3-methoxycarbonyl-4-oxo-2-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanyl-1H-quinoline-7-carboxylic acid Traditional Name: 3-carbomethoxy-4-keto-2-[[2-keto-2-(3-phenylpropylamino)ethyl]thio]-1H-quinoline-7-carboxylic acid Formula: C23H22N2O6S MolecularWeight: 454.49558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=C(C1=O)C=CC(=C2)C(=O)O)SCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(NC2=C(C1=O)C=CC(=C2)C(=O)O)SCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O6S/c1-31-23(30)19-20(27)16-10-9-15(22(28)29)12-17(16)25-21(19)32-13-18(26)24-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,24,26)(H,25,27)(H,28,29)