S-[2-[di(propan-2-yl)amino]ethyl] 9-methylsulfanylpyrido[2,3-b][1,4]benzothiazine-5-carbothioate

Systemtic Name: S-[2-[di(propan-2-yl)amino]ethyl] 9-methylsulfanylpyrido[2,3-b][1,4]benzothiazine-5-carbothioate Openeye Name: S-[2-(diisopropylamino)ethyl] 9-methylsulfanylpyrido[2,3-b][1,4]benzothiazine-5-carbothioate CAS Name: 9-(methylthio)-5-pyrido[2,3-b][1,4]benzothiazinecarbothioic acid S-[2-[di(propan-2-yl)amino]ethyl] ester IUPAC Name: S-[2-[di(propan-2-yl)amino]ethyl] 9-methylsulfanylpyrido[2,3-b][1,4]benzothiazine-5-carbothioate Traditional Name: 9-(methylthio)pyrido[2,3-b][1,4]benzothiazine-5-carbothioic acid S-[2-(diisopropylamino)ethyl] ester Formula: C21H27N3OS3 MolecularWeight: 433.65358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCSC(=O)N1C2=C(C(=CC=C2)SC)SC3=C1C=CC=N3)C(C)C

Isomeric SMILES

CC(C)N(CCSC(=O)N1C2=C(C(=CC=C2)SC)SC3=C1C=CC=N3)C(C)C

InChI

InChI=1S/C21H27N3OS3/c1-14(2)23(15(3)4)12-13-27-21(25)24-16-8-6-10-18(26-5)19(16)28-20-17(24)9-7-11-22-20/h6-11,14-15H,12-13H2,1-5H3