ethyl 2-[2-oxidanylidene-2-[[6-oxidanylidene-6-(quinolin-8-ylamino)hexyl]amino]ethyl]sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[2-oxidanylidene-2-[[6-oxidanylidene-6-(quinolin-8-ylamino)hexyl]amino]ethyl]sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl 2-[2-oxo-2-[[6-oxo-6-(8-quinolylamino)hexyl]amino]ethyl]sulfanyl-2-phenyl-acetate CAS Name: 2-[[2-oxo-2-[[6-oxo-6-(8-quinolinylamino)hexyl]amino]ethyl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[2-oxo-2-[[6-oxo-6-(quinolin-8-ylamino)hexyl]amino]ethyl]sulfanyl-2-phenylacetate Traditional Name: 2-[[2-keto-2-[[6-keto-6-(8-quinolylamino)hexyl]amino]ethyl]thio]-2-phenyl-acetic acid ethyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SCC(=O)NCCCCCC(=O)NC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SCC(=O)NCCCCCC(=O)NC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C27H31N3O4S/c1-2-34-27(33)26(21-11-5-3-6-12-21)35-19-24(32)28-17-8-4-7-16-23(31)30-22-15-9-13-20-14-10-18-29-25(20)22/h3,5-6,9-15,18,26H,2,4,7-8,16-17,19H2,1H3,(H,28,32)(H,30,31)