S-[2-oxidanylidene-2-[4-[2-(quinolin-3-ylamino)ethoxy]phenyl]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[4-[2-(quinolin-3-ylamino)ethoxy]phenyl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[4-[2-(3-quinolylamino)ethoxy]phenyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[4-[2-(3-quinolinylamino)ethoxy]phenyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[4-[2-(quinolin-3-ylamino)ethoxy]phenyl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-[2-(3-quinolylamino)ethoxy]phenyl]ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)OCCNC2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)OCCNC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H20N2O3S/c1-15(24)27-14-21(25)16-6-8-19(9-7-16)26-11-10-22-18-12-17-4-2-3-5-20(17)23-13-18/h2-9,12-13,22H,10-11,14H2,1H3