4-oxidanylidene-4-[[4-[1-oxidanylidene-1-(quinolin-3-ylamino)propan-2-yl]sulfanylphenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[4-[1-oxidanylidene-1-(quinolin-3-ylamino)propan-2-yl]sulfanylphenyl]amino]butanoic acid Openeye Name: 4-[4-[1-methyl-2-oxo-2-(3-quinolylamino)ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[4-[[1-oxo-1-(3-quinolinylamino)propan-2-yl]thio]anilino]butanoic acid IUPAC Name: 4-oxo-4-[4-[1-oxo-1-(quinolin-3-ylamino)propan-2-yl]sulfanylanilino]butanoic acid Traditional Name: 4-keto-4-[4-[[2-keto-1-methyl-2-(3-quinolylamino)ethyl]thio]anilino]butyric acid Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2N=C1)SC3=CC=C(C=C3)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC2=CC=CC=C2N=C1)SC3=CC=C(C=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C22H21N3O4S/c1-14(22(29)25-17-12-15-4-2-3-5-19(15)23-13-17)30-18-8-6-16(7-9-18)24-20(26)10-11-21(27)28/h2-9,12-14H,10-11H2,1H3,(H,24,26)(H,25,29)(H,27,28)