4-[[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]anilino]-4-keto-butyric acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=CC=CC(=C3)NC(=O)CCC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=CC=CC(=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C21H22N2O4S/c24-19(10-11-21(26)27)22-16-7-3-8-17(13-16)28-14-20(25)23-12-4-6-15-5-1-2-9-18(15)23/h1-3,5,7-9,13H,4,6,10-12,14H2,(H,22,24)(H,26,27)