1-(2-chloranylphenothiazin-10-yl)-2-(6-ethoxy-3-methyl-quinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2-chloranylphenothiazin-10-yl)-2-(6-ethoxy-3-methyl-quinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2-chlorophenothiazin-10-yl)-2-[(6-ethoxy-3-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(2-chloro-10-phenothiazinyl)-2-[(6-ethoxy-3-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(2-chlorophenothiazin-10-yl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(2-chlorophenothiazin-10-yl)-2-[(6-ethoxy-3-methyl-2-quinolyl)thio]ethanone Formula: C26H21ClN2O2S2 MolecularWeight: 493.04014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(N=C2C=C1)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)C

Isomeric SMILES

CCOC1=CC2=CC(=C(N=C2C=C1)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)C

InChI

InChI=1S/C26H21ClN2O2S2/c1-3-31-19-9-10-20-17(13-19)12-16(2)26(28-20)32-15-25(30)29-21-6-4-5-7-23(21)33-24-11-8-18(27)14-22(24)29/h4-14H,3,15H2,1-2H3